Compounds > mrs 1845
Page last updated: 2024-08-02 20:43:25

mrs 1845

Description

Cross-References

ID SourceID
PubMed CID11538542
CHEMBL ID1256776
SCHEMBL ID8226144
MeSH IDM0489634

Synonyms (38)

Synonym
MLS002172491
smr001254114
EU-0100763
mrs 1845, >=95% (hplc), solid
LOPAC0_000763
NCGC00094103-02
mrs 1845 ,
NCGC00094103-01
NCGC00015650-02
M 1692
n-propargylnitrendipene
NCGC00015650-04
mrs-1845
CHEMBL1256776
CCG-204848
HMS2233N15
NCGC00015650-03
LP00763
544478-19-5
HMS3373I13
SCHEMBL8226144
n-propylargylnitrendipine
1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-1-(2-propynyl)-3,5-pyridinedicarboxylic acid ethyl, methyl ester
mrs1845
AKOS024456822
DTXSID50468257
SR-01000076221-1
sr-01000076221
EX-A3590
HMS3676L14
HMS3412L14
SDCCGSBI-0050741.P002
CS-0027573
N16872
MS-26734
HY-103310
5-o-ethyl 3-o-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1-prop-2-ynyl-4h-pyridine-3,5-dicarboxylate
AKOS040733779

Protein Targets (28)

Potency Measurements

ProteinTaxonomyMeasurementAverage (mM)Bioassay(s)
Chain A, Beta-lactamaseEscherichia coli K-12Potency12.5893AID485294
Chain A, Ferritin light chainEquus caballus (horse)Potency14.1254AID2323
endonuclease IVEscherichia coliPotency10.0000AID1708
glp-1 receptor, partialHomo sapiens (human)Potency11.2202AID624417
thioredoxin reductaseRattus norvegicus (Norway rat)Potency37.0826AID488772; AID588453; AID588456
ATAD5 protein, partialHomo sapiens (human)Potency29.0810AID493106; AID493107
USP1 protein, partialHomo sapiens (human)Potency25.6651AID504865; AID743255
TDP1 proteinHomo sapiens (human)Potency23.1093AID686978
Microtubule-associated protein tauHomo sapiens (human)Potency8.9125AID1460
nonstructural protein 1Influenza A virus (A/WSN/1933(H1N1))Potency14.1254AID2326
ParkinHomo sapiens (human)Potency14.5810AID720572
IDH1Homo sapiens (human)Potency32.6427AID686970
euchromatic histone-lysine N-methyltransferase 2Homo sapiens (human)Potency4.0288AID504332
Bloom syndrome protein isoform 1Homo sapiens (human)Potency19.9526AID2364; AID2528
peripheral myelin protein 22 isoform 1Homo sapiens (human)Potency53.5818AID1967
D(1A) dopamine receptorHomo sapiens (human)Potency0.4109AID488982
vitamin D3 receptor isoform VDRAHomo sapiens (human)Potency100.0000AID504847
chromobox protein homolog 1Homo sapiens (human)Potency35.4813AID488953
nuclear factor erythroid 2-related factor 2 isoform 2Homo sapiens (human)Potency18.3564AID504444
atrial natriuretic peptide receptor 2 precursorHomo sapiens (human)Potency20.7491AID1347050
flap endonuclease 1Homo sapiens (human)Potency7.5193AID588795
eyes absent homolog 2 isoform aHomo sapiens (human)Potency125.8920AID488837
DNA polymerase iota isoform a (long)Homo sapiens (human)Potency3.5481AID588590
gemininHomo sapiens (human)Potency17.7828AID463097
M-phase phosphoprotein 8Homo sapiens (human)Potency19.9526AID488949
lamin isoform A-delta10Homo sapiens (human)Potency0.0022AID1487
neuropeptide S receptor isoform AHomo sapiens (human)Potency15.8489AID1461
Guanine nucleotide-binding protein GHomo sapiens (human)Potency35.4813AID624288

Bioassays (26)

Assay IDTitleYearJournalArticle
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression2022The Journal of biological chemistry, 08, Volume: 298, Issue:8
ISSN: 1083-351X
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13ISSN: 1934-9300Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
ISSN: 1552-4922		Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
ISSN: 1557-8127		High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID504810Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
ISSN: 1945-7170		A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13ISSN: 1934-9300Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
ISSN: 1552-4922		Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
ISSN: 1557-8127		High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13ISSN: 1934-9300Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
ISSN: 1552-4922		Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
ISSN: 1557-8127		High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID504812Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
ISSN: 1945-7170		A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID1745845Primary qHTS for Inhibitors of ATXN expression2022The Journal of biological chemistry, 08, Volume: 298, Issue:8
ISSN: 1083-351X
AID588349qHTS for Inhibitors of ATXN expression: Validation of Cytotoxic Assay2022The Journal of biological chemistry, 08, Volume: 298, Issue:8
ISSN: 1083-351X
AID1347083qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: Viability assay - alamar blue signal for LASV Primary Screen2020Antiviral research, 01, Volume: 173ISSN: 1872-9096A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID504836Inducers of the Endoplasmic Reticulum Stress Response (ERSR) in human glioma: Validation2002The Journal of biological chemistry, Apr-19, Volume: 277, Issue:16
ISSN: 0021-9258		Sustained ER Ca2+ depletion suppresses protein synthesis and induces activation-enhanced cell death in mast cells.
AID588378qHTS for Inhibitors of ATXN expression: Validation2022The Journal of biological chemistry, 08, Volume: 298, Issue:8
ISSN: 1083-351X
AID1347045Natriuretic polypeptide receptor (hNpr1) antagonism - Pilot counterscreen GloSensor control cell line2019Science translational medicine, 07-10, Volume: 11, Issue:500
ISSN: 1946-6242		Inhibition of natriuretic peptide receptor 1 reduces itch in mice.
AID1347050Natriuretic polypeptide receptor (hNpr2) antagonism - Pilot subtype selectivity assay2019Science translational medicine, 07-10, Volume: 11, Issue:500
ISSN: 1946-6242		Inhibition of natriuretic peptide receptor 1 reduces itch in mice.
AID1347082qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: LASV Primary Screen - GLuc reporter signal2020Antiviral research, 01, Volume: 173ISSN: 1872-9096A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1508630Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome: Secreted ER Calcium Modulated Protein (SERCaMP) assay2021Cell reports, 04-27, Volume: 35, Issue:4
ISSN: 2211-1247		A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome.
AID1347049Natriuretic polypeptide receptor (hNpr1) antagonism - Pilot screen2019Science translational medicine, 07-10, Volume: 11, Issue:500
ISSN: 1946-6242		Inhibition of natriuretic peptide receptor 1 reduces itch in mice.
AID1347086qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lymphocytic Choriomeningitis Arenaviruses (LCMV): LCMV Primary Screen - GLuc reporter signal2020Antiviral research, 01, Volume: 173ISSN: 1872-9096A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID521220Inhibition of neurosphere proliferation of mouse neural precursor cells by MTT assay2007Nature chemical biology, May, Volume: 3, Issue:5
ISSN: 1552-4450		Chemical genetics reveals a complex functional ground state of neural stem cells.
AID524794Antiplasmodial activity against Plasmodium falciparum GB4 after 72 hrs by SYBR green assay2009Nature chemical biology, Oct, Volume: 5, Issue:10
ISSN: 1552-4469		Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum.
AID524793Antiplasmodial activity against Plasmodium falciparum Dd2 after 72 hrs by SYBR green assay2009Nature chemical biology, Oct, Volume: 5, Issue:10
ISSN: 1552-4469		Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum.
AID524796Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR green assay2009Nature chemical biology, Oct, Volume: 5, Issue:10
ISSN: 1552-4469		Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum.
AID524791Antiplasmodial activity against Plasmodium falciparum 7G8 after 72 hrs by SYBR green assay2009Nature chemical biology, Oct, Volume: 5, Issue:10
ISSN: 1552-4469		Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum.
AID524795Antiplasmodial activity against Plasmodium falciparum HB3 after 72 hrs by SYBR green assay2009Nature chemical biology, Oct, Volume: 5, Issue:10
ISSN: 1552-4469		Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum.
AID524792Antiplasmodial activity against Plasmodium falciparum D10 after 72 hrs by SYBR green assay2009Nature chemical biology, Oct, Volume: 5, Issue:10
ISSN: 1552-4469		Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum.
AID524790Antiplasmodial activity against Plasmodium falciparum 3D7 after 72 hrs by SYBR green assay2009Nature chemical biology, Oct, Volume: 5, Issue:10
ISSN: 1552-4469		Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum.
AID1159607Screen for inhibitors of RMI FANCM (MM2) intereaction2016Journal of biomolecular screening, Jul, Volume: 21, Issue:6
ISSN: 1552-454X		A High-Throughput Screening Strategy to Identify Protein-Protein Interaction Inhibitors That Block the Fanconi Anemia DNA Repair Pathway.

Research

Studies (17)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's7 (41.18)29.6817
2010's7 (41.18)24.3611
2020's3 (17.65)2.80

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews0 (0.00%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other17 (100.00%)84.16%
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
gamma-aminobutyric acid
1
amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid		human metabolite;
neurotransmitter;
Saccharomyces cerevisiae metabolite;
signalling molecule		2007200717.0low000100
acetamide
1
acetamides;
carboximidic acid;
monocarboxylic acid amide;
N-acylammonia		2007200717.0low000100
quinacrine
1
acridines;
aromatic ether;
organochlorine compound;
tertiary amino compound		antimalarial;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor		2007200717.0low000100
catechol
2
catecholsallelochemical;
genotoxin;
plant metabolite		2007200916.0low000200
taxifolin
2
3'-hydroxyflavanones;
4'-hydroxyflavanones;
dihydroflavonols;
pentahydroxyflavanone;
secondary alpha-hydroxy ketone		2007200916.0low000200
phosphonoacetic acid
2
monocarboxylic acid;
phosphonic acids		antiviral agent;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor		2007200916.0low000200
3,4-dihydroxyphenylacetic acid
2
catechols;
dihydroxyphenylacetic acid		human metabolite2007200916.0low000200
aminocaproic acid
1
amino acid zwitterion;
epsilon-amino acid;
omega-amino fatty acid		antifibrinolytic drug;
hematologic agent;
metabolite		2007200717.0low000100
diacetyl
1
alpha-diketoneEscherichia coli metabolite;
Saccharomyces cerevisiae metabolite		2007200717.0low000100
hydroquinone
2
benzenediol;
hydroquinones		antioxidant;
carcinogenic agent;
cofactor;
Escherichia coli metabolite;
human xenobiotic metabolite;
mouse metabolite;
skin lightening agent		2007200916.0low000200
melatonin
1
acetamides;
tryptamines		anticonvulsant;
central nervous system depressant;
geroprotector;
hormone;
human metabolite;
immunological adjuvant;
mouse metabolite;
radical scavenger		2007200717.0low000100
n-acetylserotonin
1
acetamides;
N-acylserotonin;
phenols		antioxidant;
human metabolite;
mouse metabolite;
tropomyosin-related kinase B receptor agonist		2007200717.0low000100
pyrazinamide
1
monocarboxylic acid amide;
N-acylammonia;
pyrazines		antitubercular agent;
prodrug		2007200717.0low000100
quinolinic acid
1
pyridinedicarboxylic acidEscherichia coli metabolite;
human metabolite;
mouse metabolite;
NMDA receptor agonist		2007200717.0low000100
taurine
1
amino sulfonic acid;
zwitterion		antioxidant;
Escherichia coli metabolite;
glycine receptor agonist;
human metabolite;
mouse metabolite;
nutrient;
radical scavenger;
Saccharomyces cerevisiae metabolite		2007200717.0low000100
2-amino-5-phosphonovalerate
1
non-proteinogenic alpha-amino acidNMDA receptor antagonist2007200717.0low000100
alpha-methyl-4-carboxyphenylglycine
1
2007200717.0low000100
3-(2-carboxypiperazin-4-yl)propyl-1-phosphonic acid
1
2007200717.0low000100
1-hydroxy-3-amino-2-pyrrolidone
1
2007200717.0low000100
ibotenic acid
1
non-proteinogenic alpha-amino acidneurotoxin2007200717.0low000100
n(8)-bromoacetyl-n(1)-3'-(4-indolyloxy)-2'-hydroxypropyl-1,8-diamino-4-menthane
1
2007200717.0medium000100
sk&f-38393
2
benzazepine;
catechols;
secondary amino compound		2007200916.0low000200
vanilmandelic acid
1
2-hydroxy monocarboxylic acid;
aromatic ether;
phenols		human metabolite2007200717.0low000100
1,10-diaminodecane
2
2007200916.0low000200
1,3-diethyl-8-phenylxanthine
1
2007200717.0low000100
1,3-dipropyl-8-cyclopentylxanthine
2
oxopurineadenosine A1 receptor antagonist;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor		2007200916.0low000200
1,3-dipropyl-8-(4-sulfophenyl)xanthine
1
2007200717.0low000100
1,5-dihydroxyisoquinoline
1
isoquinolinolEC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor2007200717.0low000100
pk 11195
2
aromatic amide;
isoquinolines;
monocarboxylic acid amide;
monochlorobenzenes		antineoplastic agent2007200916.0low000200
1-(2-trifluoromethylphenyl)imidazole
1
imidazoles2007200717.0low000100
1-aminobenzotriazole
2
2007200916.0low000200
1-methylimidazole
1
imidazoles2007200717.0low000100
edelfosine
1
glycerophosphocholine2007200717.0low000100
1h-(1,2,4)oxadiazolo(4,3-a)quinoxalin-1-one
2
oxadiazoloquinoxalineEC 4.6.1.2 (guanylate cyclase) inhibitor2007200916.0low000200
2,2'-dipyridyl
2
bipyridinechelator;
ferroptosis inhibitor		2007200916.0low000200
2-hydroxysaclofen
1
organochlorine compound2007200717.0low000100
3,4-dichloroisocoumarin
2
isocoumarins;
organochlorine compound		geroprotector;
serine protease inhibitor		2007200916.0low000200
phaclofen
1
organophosphate oxoanion;
zwitterion		2007200717.0low000100
3-aminobenzamide
1
benzamides;
substituted aniline		EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor2007200717.0low000100
3-bromo-7-nitroindazole
1
2007200717.0low000100
enprofylline
1
oxopurineanti-arrhythmia drug;
anti-asthmatic drug;
bronchodilator agent;
non-steroidal anti-inflammatory drug		2007200717.0low000100
3-nitropropionic acid
1
C-nitro compoundantimycobacterial drug;
EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor;
mycotoxin;
neurotoxin		2007200717.0low000100
cgp 52411
1
phthalimidesgeroprotector;
tyrosine kinase inhibitor		2009200915.0low000100
4-amino-1,8-naphthalimide
2
benzoisoquinoline;
dicarboximide		2007200916.0low000200
4-aminopyridine
1
aminopyridine;
aromatic amine		avicide;
orphan drug;
potassium channel blocker		2007200717.0low000100
homovanillic acid
2
guaiacols;
monocarboxylic acid		human metabolite;
mouse metabolite		2007200916.0low000200
4-hydroxybenzoic acid hydrazide
1
carbohydrazide;
phenols		2007200717.0low000100
4-phenyl-3-furoxancarbonitrile
2
1,2,5-oxadiazole;
benzenes;
N-oxide;
nitrile		geroprotector;
nitric oxide donor;
platelet aggregation inhibitor;
soluble guanylate cyclase activator;
vasodilator agent		2007200916.0medium000200
5,5-dimethyl-1-pyrroline-1-oxide
1
1-pyrroline nitronesneuroprotective agent;
spin trapping reagent		2007200717.0low000100
phenytoin
1
imidazolidine-2,4-dioneanticonvulsant;
drug allergen;
sodium channel blocker;
teratogenic agent		2007200717.0low000100
5,7-dichlorokynurenic acid
1
quinolines2007200717.0low000100
5-(n,n-hexamethylene)amiloride
2
aromatic amine;
azepanes;
guanidines;
monocarboxylic acid amide;
organochlorine compound;
pyrazines		antineoplastic agent;
apoptosis inducer;
odorant receptor antagonist;
sodium channel blocker		2007200916.0low000200
ethylisopropylamiloride
2
aromatic amine;
guanidines;
monocarboxylic acid amide;
organochlorine compound;
pyrazines;
tertiary amino compound		anti-arrhythmia drug;
neuroprotective agent;
sodium channel blocker		2007200916.0low000200
5-fluoroindole-2-carboxylic acid
2
indolyl carboxylic acid2007200916.0low000200
hydroxyindoleacetic acid
1
indole-3-acetic acidsdrug metabolite;
human metabolite;
mouse metabolite		2007200717.0low000100
phenanthridone
2
lactam;
phenanthridines		EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
immunosuppressive agent;
mutagen		2007200916.0low000200
6-chloromelatonin
1
acetamides2007200717.0low000100
6-hydroxymelatonin
1
acetamides;
tryptamines		metabolite;
mouse metabolite		2007200717.0low000100
6-methoxytryptoline
1
2007200717.0low000100
6-nitroso-1,2-benzopyrone
2
2007200916.0medium000200
7-chlorokynurenic acid
1
organochlorine compound;
quinolinemonocarboxylic acid		neuroprotective agent;
NMDA receptor antagonist		2007200717.0low000100
7-nitroindazole
1
2007200717.0low000100
8-(4-sulfophenyl)theophylline
2
2007200916.0low000200
8-cyclopentyl-1,3-dimethylxanthine
1
oxopurine2007200717.0low000100
8-phenyltheophylline
1
2007200717.0low000100
aa 861
1
1,4-benzoquinones;
acetylenic compound;
primary alcohol		EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
ferroptosis inhibitor		2009200915.0low000100
acetazolamide
1
monocarboxylic acid amide;
sulfonamide;
thiadiazoles		anticonvulsant;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor		2007200717.0low000100
acetohexamide
1
acetophenones;
N-sulfonylurea		hypoglycemic agent;
insulin secretagogue		2007200717.0low000100
ag 127
2
nitrophenol2007200916.0medium000200
rtki cpd
2
aromatic ether;
monochlorobenzenes;
quinazolines		antineoplastic agent;
antiviral agent;
epidermal growth factor receptor antagonist;
geroprotector		2007200916.0low000200
tyrphostin a23
2
catechols2007200916.0low000200
tyrphostin 25
2
benzenetriol2007200916.0low000200
tyrphostin a1
1
methoxybenzenesgeroprotector2007200717.0low000100
1-aminoindan-1,5-dicarboxylic acid
1
2007200717.0low000100
albuterol
1
phenols;
phenylethanolamines;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
environmental contaminant;
xenobiotic		2007200717.0low000100
alpha-methyltyrosine methyl ester
1
2007200717.0low000100
altretamine
1
triamino-1,3,5-triazine2007200717.0low000100
amfonelic acid
1
2007200717.0low000100
amifostine anhydrous
1
diamine;
organic thiophosphate		antioxidant;
prodrug;
radiation protective agent		2007200717.0low000100
theophylline
1
dimethylxanthineadenosine receptor antagonist;
anti-asthmatic drug;
anti-inflammatory agent;
bronchodilator agent;
drug metabolite;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
fungal metabolite;
human blood serum metabolite;
immunomodulator;
muscle relaxant;
vasodilator agent		2007200717.0low000100
amoxapine
2
dibenzooxazepineadrenergic uptake inhibitor;
antidepressant;
dopaminergic antagonist;
geroprotector;
serotonin uptake inhibitor		2007200916.0low000200
aniracetam
1
N-acylpyrrolidine;
pyrrolidin-2-ones		2007200717.0low000100
2-amino-4-phosphonobutyric acid
1
2007200717.0low000100
aspirin
1
benzoic acids;
phenyl acetates;
salicylates		anticoagulant;
antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
EC 1.1.1.188 (prostaglandin-F synthase) inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
plant activator;
platelet aggregation inhibitor;
prostaglandin antagonist;
teratogenic agent		2007200717.0low000100
atenolol
1
ethanolamines;
monocarboxylic acid amide;
propanolamine		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
sympatholytic agent;
xenobiotic		2007200717.0low000100
alpha-amino-3-hydroxy-5-tert-butyl-4-isoxazolepropionate
1
alpha-amino acid2007200717.0low000100
aurintricarboxylic acid
2
monohydroxybenzoic acid;
quinomethanes;
tricarboxylic acid		fluorochrome;
histological dye;
insulin-like growth factor receptor 1 antagonist		2007200916.0low000200
azathioprine
2
aryl sulfide;
C-nitro compound;
imidazoles;
thiopurine		antimetabolite;
antineoplastic agent;
carcinogenic agent;
DNA synthesis inhibitor;
hepatotoxic agent;
immunosuppressive agent;
prodrug		2007200916.0low000200
azelaic acid
1
alpha,omega-dicarboxylic acid;
dicarboxylic fatty acid		antibacterial agent;
antineoplastic agent;
dermatologic drug;
plant metabolite		2007200717.0low000100
baclofen
1
amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid;
monochlorobenzenes;
primary amino compound		central nervous system depressant;
GABA agonist;
muscle relaxant		2007200717.0low000100
bay-k-8644
2
(trifluoromethyl)benzenes;
C-nitro compound;
dihydropyridine;
methyl ester		2007200916.0low000200
benzamide
1
benzamides2007200717.0low000100
bepridil
1
pyrrolidines;
tertiary amine		anti-arrhythmia drug;
antihypertensive agent;
calcium channel blocker;
vasodilator agent		2007200717.0low000100
bml 190
2
N-acylindole2007200916.0medium000200
brimonidine
2
imidazoles;
quinoxaline derivative;
secondary amine		adrenergic agonist;
alpha-adrenergic agonist;
antihypertensive agent		2007200916.0low000200
bu 224
1
quinolines2009200915.0low000100
bumetanide
1
amino acid;
benzoic acids;
sulfonamide		diuretic;
EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor		2007200717.0low000100
caffeine
1
purine alkaloid;
trimethylxanthine		adenosine A2A receptor antagonist;
adenosine receptor antagonist;
adjuvant;
central nervous system stimulant;
diuretic;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
environmental contaminant;
food additive;
fungal metabolite;
geroprotector;
human blood serum metabolite;
mouse metabolite;
mutagen;
plant metabolite;
psychotropic drug;
ryanodine receptor agonist;
xenobiotic		2007200717.0low000100
carbamazepine
1
dibenzoazepine;
ureas		analgesic;
anticonvulsant;
antimanic drug;
drug allergen;
EC 3.5.1.98 (histone deacetylase) inhibitor;
environmental contaminant;
glutamate transporter activator;
mitogen;
non-narcotic analgesic;
sodium channel blocker;
xenobiotic		2007200717.0low000100
carbetapentane
1
benzenes2007200717.0low000100
carisoprodol
1
carbamate estermuscle relaxant2007200717.0low000100
carmustine
1
N-nitrosoureas;
organochlorine compound		alkylating agent;
antineoplastic agent		2007200717.0low000100
cgs 12066
1
N-arylpiperazine;
organofluorine compound;
pyrroloquinoxaline		serotonergic agonist2007200717.0low000100
cgs 15943
2
aromatic amine;
biaryl;
furans;
organochlorine compound;
primary amino compound;
quinazolines;
triazoloquinazoline		adenosine A1 receptor antagonist;
adenosine A2A receptor antagonist;
antineoplastic agent;
central nervous system stimulant		2007200916.0low000200
chlorambucil
2
aromatic amine;
monocarboxylic acid;
nitrogen mustard;
organochlorine compound;
tertiary amino compound		alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent		2007200916.0low000200
chlormezanone
1
1,3-thiazine;
lactam;
monochlorobenzenes;
sulfone		antipsychotic agent;
anxiolytic drug;
muscle relaxant		2007200717.0low000100
chloroquine
1
aminoquinoline;
organochlorine compound;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antimalarial;
antirheumatic drug;
autophagy inhibitor;
dermatologic drug		2009200915.0low000100
chlorothiazide
1
benzothiadiazineantihypertensive agent;
diuretic		2007200717.0low000100
chlorpropamide
1
monochlorobenzenes;
N-sulfonylurea		hypoglycemic agent;
insulin secretagogue		2007200717.0low000100
chlorzoxazone
1
1,3-benzoxazoles;
heteroaryl hydroxy compound;
organochlorine compound		muscle relaxant;
sedative		2007200717.0low000100
cilostamide
2
quinolines2007200916.0low000200
cilostazol
2
lactam;
tetrazoles		anticoagulant;
bronchodilator agent;
EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor;
fibrin modulating drug;
neuroprotective agent;
platelet aggregation inhibitor;
vasodilator agent		2007200916.0low000200
cimetidine
2
aliphatic sulfide;
guanidines;
imidazoles;
nitrile		adjuvant;
analgesic;
anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor		2007200916.0low000200
cinoxacin
2
cinnolines;
oxacycle;
oxo carboxylic acid		antibacterial drug;
antiinfective agent		2007200916.0low000200
ciprofibrate
1
cyclopropanes;
monocarboxylic acid;
organochlorine compound		antilipemic drug2007200717.0low000100
clofibrate
1
aromatic ether;
ethyl ester;
monochlorobenzenes		anticholesteremic drug;
antilipemic drug;
geroprotector;
PPARalpha agonist		2007200717.0low000100
clotrimazole
2
conazole antifungal drug;
imidazole antifungal drug;
imidazoles;
monochlorobenzenes		antiinfective agent;
environmental contaminant;
xenobiotic		2007200916.0low000200
cx546
1
2007200717.0low000100
cyclothiazide
1
benzothiadiazineantihypertensive agent;
diuretic		2007200717.0low000100
dephostatin
1
2007200717.0low000100
nonivamide
1
capsaicinoid;
phenols		lachrymator2007200717.0low000100
r 59022
1
diarylmethane2007200717.0low000100
diazoxide
1
benzothiadiazine;
organochlorine compound;
sulfone		antihypertensive agent;
beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
diuretic;
K-ATP channel agonist;
sodium channel blocker;
sympathomimetic agent;
vasodilator agent		2007200717.0low000100
pentetic acid
1
pentacarboxylic acidcopper chelator2007200717.0low000100
diphenyleneiodonium
1
organic cation2007200717.0low000100
dipyridamole
2
piperidines;
pyrimidopyrimidine;
tertiary amino compound;
tetrol		adenosine phosphodiesterase inhibitor;
EC 3.5.4.4 (adenosine deaminase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent		2007200916.0low000200
disopyramide
1
monocarboxylic acid amide;
pyridines;
tertiary amino compound		anti-arrhythmia drug2007200717.0low000100
disulfiram
2
organic disulfide;
organosulfur acaricide		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor;
EC 3.1.1.1 (carboxylesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
ferroptosis inducer;
fungicide;
NF-kappaB inhibitor		2007200916.0low000200
2-amino-7-phosphonoheptanoic acid
1
2007200717.0low000100
thiorphan
1
N-acyl-amino acid2007200717.0low000100
2,3-dimethoxy-1,4-naphthoquinone
2
1,4-naphthoquinones2007200916.0low000200
domperidone
2
benzimidazoles;
heteroarylpiperidine		antiemetic;
dopaminergic antagonist		2007200916.0low000200
droperidol
2
aromatic ketone;
benzimidazoles;
organofluorine compound		anaesthesia adjuvant;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic		2007200916.0low000200
ebselen
2
benzoselenazoleanti-inflammatory drug;
antibacterial agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
EC 3.5.4.1 (cytosine deaminase) inhibitor;
EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor;
enzyme mimic;
ferroptosis inhibitor;
genotoxin;
hepatoprotective agent;
neuroprotective agent;
radical scavenger		2007200916.0low000200
ellipticine
2
indole alkaloid;
organic heterotetracyclic compound;
organonitrogen heterocyclic compound;
polycyclic heteroarene		antineoplastic agent;
plant metabolite		2007200916.0low000200
emodin
2
trihydroxyanthraquinoneantineoplastic agent;
laxative;
plant metabolite;
tyrosine kinase inhibitor		2007200916.0low000200
ethosuximide
1
dicarboximide;
pyrrolidinone		anticonvulsant;
geroprotector;
T-type calcium channel blocker		2007200717.0low000100
etodolac
1
monocarboxylic acid;
organic heterotricyclic compound		antipyretic;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		2007200717.0low000100
felbamate
1
carbamate esteranticonvulsant;
neuroprotective agent		2007200717.0low000100
felodipine
2
dichlorobenzene;
dihydropyridine;
ethyl ester;
methyl ester		anti-arrhythmia drug;
antihypertensive agent;
calcium channel blocker;
vasodilator agent		2007200916.0low000200
fenofibrate
2
aromatic ether;
chlorobenzophenone;
isopropyl ester;
monochlorobenzenes		antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic		2007200916.0low000200
flumazenil
1
ethyl ester;
imidazobenzodiazepine;
organofluorine compound		antidote to benzodiazepine poisoning;
GABA antagonist		2007200717.0low000100
fluorouracil
2
nucleobase analogue;
organofluorine compound		antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic		2007200916.0low000200
fluspirilene
2
diarylmethane2007200916.0low000200
flutamide
2
(trifluoromethyl)benzenes;
monocarboxylic acid amide		androgen antagonist;
antineoplastic agent		2007200916.0low000200
formoterol fumarate
2
formamides;
phenols;
phenylethanolamines;
secondary alcohol;
secondary amino compound		2007200916.0low000200
fpl 64176
2
carboxylic ester;
pyrroles		calcium channel agonist2007200916.0low000200
furafylline
1
oxopurine2007200717.0low000100
furosemide
2
chlorobenzoic acid;
furans;
sulfonamide		environmental contaminant;
loop diuretic;
xenobiotic		2007200916.0low000200
fusaric acid
1
aromatic carboxylic acid;
pyridines		2007200717.0low000100
gabapentin
1
gamma-amino acidanticonvulsant;
calcium channel blocker;
environmental contaminant;
xenobiotic		2007200717.0low000100
4-amino-5-hexynoic acid
1
2007200717.0low000100
glipizide
1
aromatic amide;
monocarboxylic acid amide;
N-sulfonylurea;
pyrazines		EC 2.7.1.33 (pantothenate kinase) inhibitor;
hypoglycemic agent;
insulin secretagogue		2007200717.0low000100
glyburide
2
monochlorobenzenes;
N-sulfonylurea		anti-arrhythmia drug;
EC 2.7.1.33 (pantothenate kinase) inhibitor;
EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor;
hypoglycemic agent		2007200916.0low000200
1-(5-isoquinolinesulfonyl)piperazine
1
isoquinolines2007200717.0low000100
haloperidol
2
aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol		antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist		2007200916.0low000200
hemicholinium 3
1
morpholines2007200717.0low000100
4-fluorohexahydrosiladifenidol
1
2007200717.0low000100
hydrochlorothiazide
1
benzothiadiazine;
organochlorine compound;
sulfonamide		antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic		2007200717.0low000100
hydroxyurea
1
one-carbon compound;
ureas		antimetabolite;
antimitotic;
antineoplastic agent;
DNA synthesis inhibitor;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
genotoxin;
immunomodulator;
radical scavenger;
teratogenic agent		2007200717.0low000100
ibudilast
1
pyrazolopyridine2007200717.0low000100
ibuprofen
1
monocarboxylic acidantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
radical scavenger;
xenobiotic		2007200717.0low000100
ic 261
2
indoles2007200916.0high000200
ifenprodil
1
piperidines2007200717.0low000100
indirubin-3'-monoxime
2
2007200916.0low000200
indomethacin
1
aromatic ether;
indole-3-acetic acids;
monochlorobenzenes;
N-acylindole		analgesic;
drug metabolite;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
gout suppressant;
non-steroidal anti-inflammatory drug;
xenobiotic metabolite;
xenobiotic		2007200717.0low000100
iodoacetamide
1
2007200717.0low000100
1-methyl-3-isobutylxanthine
1
3-isobutyl-1-methylxanthine2007200717.0low000100
4-piperidinecarboxylic acid
2
2007200916.0low000200
4-(4'-hydroxyphenyl)-amino-6,7-dimethoxyquinazoline
1
2007200717.0low000100
jl 18
2
2007200916.0medium000200
nsc 664704
2
indolobenzazepine;
lactam;
organobromine compound		cardioprotective agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
geroprotector		2007200916.0low000200
ketoconazole
2
dichlorobenzene;
dioxolane;
ether;
imidazoles;
N-acylpiperazine;
N-arylpiperazine		2007200916.0low000200
ketoprofen
1
benzophenones;
oxo monocarboxylic acid		antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic		2007200717.0low000100
kynurenic acid
1
monohydroxyquinoline;
quinolinemonocarboxylic acid		G-protein-coupled receptor agonist;
human metabolite;
neuroprotective agent;
nicotinic antagonist;
NMDA receptor antagonist;
Saccharomyces cerevisiae metabolite		2007200717.0low000100
2-amino-3-phosphonopropionic acid
1
alanine derivative;
non-proteinogenic alpha-amino acid;
phosphonic acids		human metabolite;
metabotropic glutamate receptor antagonist		2007200717.0low000100
lamotrigine
1
1,2,4-triazines;
dichlorobenzene;
primary arylamine		anticonvulsant;
antidepressant;
antimanic drug;
calcium channel blocker;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
excitatory amino acid antagonist;
geroprotector;
non-narcotic analgesic;
xenobiotic		2007200717.0low000100
lansoprazole
2
benzimidazoles;
pyridines;
sulfoxide		anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor		2007200916.0low000200
beta-lapachone
2
benzochromenone;
orthoquinones		anti-inflammatory agent;
antineoplastic agent;
plant metabolite		2007200916.0low000200
leflunomide
1
(trifluoromethyl)benzenes;
isoxazoles;
monocarboxylic acid amide		antineoplastic agent;
antiparasitic agent;
EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
hepatotoxic agent;
immunosuppressive agent;
non-steroidal anti-inflammatory drug;
prodrug;
pyrimidine synthesis inhibitor;
tyrosine kinase inhibitor		2007200717.0low000100
linopirdine
2
indoles2007200916.0low000200
loratadine
2
benzocycloheptapyridine;
ethyl ester;
N-acylpiperidine;
organochlorine compound;
tertiary carboxamide		anti-allergic agent;
cholinergic antagonist;
geroprotector;
H1-receptor antagonist		2007200916.0low000200
loxoprofen
1
cyclopentanones;
monocarboxylic acid		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug		2007200717.0low000100
2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-one
1
chromones;
morpholines;
organochlorine compound		autophagy inhibitor;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
geroprotector		2007200717.0low000100
meclofenamate sodium anhydrous
1
organic sodium salt2007200717.0low000100
methiothepin
1
aryl sulfide;
dibenzothiepine;
N-alkylpiperazine;
tertiary amino compound		antipsychotic agent;
dopaminergic antagonist;
geroprotector;
serotonergic antagonist		2007200717.0low000100
methoctramine
1
aromatic ether;
tetramine		muscarinic antagonist2007200717.0low000100
nocodazole
2
aromatic ketone;
benzimidazoles;
carbamate ester;
thiophenes		antimitotic;
antineoplastic agent;
microtubule-destabilising agent;
tubulin modulator		2007200916.0low000200
3-Hydroxy-alpha-methyl-DL-tyrosine
1
benzenes;
monocarboxylic acid		2007200717.0low000100
metolazone
2
organochlorine compound;
quinazolines;
sulfonamide		antihypertensive agent;
diuretic;
ion transport inhibitor		2007200916.0low000200
milrinone
1
bipyridines;
nitrile;
pyridone		cardiotonic drug;
EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent		2007200717.0low000100
minoxidil
1
dialkylarylamine;
tertiary amino compound		2007200717.0low000100
mitotane
1
diarylmethane2007200717.0low000100
mitoxantrone
2
dihydroxyanthraquinoneanalgesic;
antineoplastic agent		2007200916.0low000200
ml 7
2
N-sulfonyldiazepane;
organoiodine compound		EC 2.7.11.18 (myosin-light-chain kinase) inhibitor2007200916.0low000200
ml 9
1
naphthalenes;
sulfonic acid derivative		2009200915.0low000100
n-(4-aminobutyl)-5-chloro-2-naphthalenesulfonamide
1
naphthalenes;
organochlorine compound;
primary amino compound;
sulfonamide		2007200717.0low000100
n-bromoacetamide
1
2007200717.0low000100
ethylmaleimide
1
maleimidesanticoronaviral agent;
EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor;
EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor;
EC 2.7.1.1 (hexokinase) inhibitor		2007200717.0low000100
fg 7142
2
beta-carbolines2007200916.0low000200
fenamic acid
1
aminobenzoic acid;
secondary amino compound		membrane transport modulator2007200717.0low000100
n 0840
2
2007200916.0medium000200
nialamide
2
organonitrogen compound;
organooxygen compound		2007200916.0low000200
niclosamide
2
benzamides;
C-nitro compound;
monochlorobenzenes;
salicylanilides;
secondary carboxamide		anthelminthic drug;
anticoronaviral agent;
antiparasitic agent;
apoptosis inducer;
molluscicide;
piscicide;
STAT3 inhibitor		2007200916.0low000200
nifedipine
2
C-nitro compound;
dihydropyridine;
methyl ester		calcium channel blocker;
human metabolite;
tocolytic agent;
vasodilator agent		2007200916.0low000200
niflumic acid
1
aromatic carboxylic acid;
pyridines		2007200717.0low000100
nilutamide
1
(trifluoromethyl)benzenes;
C-nitro compound;
imidazolidinone		androgen antagonist;
antineoplastic agent		2007200717.0low000100
nimesulide
1
aromatic ether;
C-nitro compound;
sulfonamide		cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug		2007200717.0low000100
nimodipine
2
2-methoxyethyl ester;
C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
isopropyl ester		antihypertensive agent;
calcium channel blocker;
cardiovascular drug;
vasodilator agent		2007200916.0low000200
nipecotic acid
1
beta-amino acid;
piperidinemonocarboxylic acid		2007200717.0low000100
nitrendipine
2
C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
ethyl ester;
methyl ester		antihypertensive agent;
calcium channel blocker;
geroprotector;
vasodilator agent		2007200916.0low000200
masoprocol
2
catechols;
lignan;
tetrol		antioxidant;
ferroptosis inhibitor;
geroprotector;
plant metabolite		2007200916.0low000200
5-nitro-2-(3-phenylpropylamino)benzoic acid
2
nitrobenzoic acid2007200916.0low000200
ns 2028
1
2007200717.0low000100
ns 1619
2
(trifluoromethyl)benzenes;
benzimidazoles;
phenols		potassium channel opener2007200916.0low000200
o(6)-benzylguanine
1
2007200717.0low000100
ofloxacin
2
3-oxo monocarboxylic acid;
N-arylpiperazine;
N-methylpiperazine;
organofluorine compound;
oxazinoquinoline		2007200916.0low000200
olomoucine
2
2,6-diaminopurines;
ethanolamines		EC 2.7.11.22 (cyclin-dependent kinase) inhibitor2007200916.0low000200
oxaprozin
2
1,3-oxazoles;
monocarboxylic acid		analgesic;
non-steroidal anti-inflammatory drug		2007200916.0low000200
oxatomide
2
benzimidazoles;
diarylmethane;
N-alkylpiperazine		anti-allergic agent;
anti-inflammatory agent;
geroprotector;
H1-receptor antagonist;
serotonergic antagonist		2007200916.0low000200
oxiracetam
1
organonitrogen compound;
organooxygen compound		2007200717.0low000100
oxolinic acid
1
aromatic carboxylic acid;
organic heterotricyclic compound;
oxacycle;
quinolinemonocarboxylic acid;
quinolone antibiotic		antibacterial drug;
antifungal agent;
antiinfective agent;
antimicrobial agent;
enzyme inhibitor		2007200717.0low000100
quinone
1
1,4-benzoquinonescofactor;
human xenobiotic metabolite;
mouse metabolite		2007200717.0low000100
fenclonine
1
phenylalanine derivative2007200717.0low000100
palmidrol
2
endocannabinoid;
N-(long-chain-acyl)ethanolamine;
N-(saturated fatty acyl)ethanolamine		anti-inflammatory drug;
anticonvulsant;
antihypertensive agent;
neuroprotective agent		2007200916.0low000200
1,7-dimethylxanthine
1
dimethylxanthinecentral nervous system stimulant;
human blood serum metabolite;
human xenobiotic metabolite;
mouse metabolite		2007200717.0low000100
pd 169316
1
imidazoles2009200915.0low000100
pd 98059
2
aromatic amine;
monomethoxyflavone		EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
geroprotector		2007200916.0low000200
pentamidine
1
aromatic ether;
carboxamidine;
diether		anti-inflammatory agent;
antifungal agent;
calmodulin antagonist;
chemokine receptor 5 antagonist;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
NMDA receptor antagonist;
S100 calcium-binding protein B inhibitor;
trypanocidal drug;
xenobiotic		2007200717.0low000100
pentoxifylline
1
oxopurine2007200717.0low000100
perphenazine
2
N-(2-hydroxyethyl)piperazine;
N-alkylpiperazine;
organochlorine compound;
phenothiazines		antiemetic;
dopaminergic antagonist;
phenothiazine antipsychotic drug		2007200916.0low000200
phenyl biguanide
2
guanidinescentral nervous system drug2007200916.0low000200
phenylbutazone
2
pyrazolidinesantirheumatic drug;
EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor;
metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug		2007200916.0low000200
phloretin
2
dihydrochalconesantineoplastic agent;
plant metabolite		2007200916.0low000200
picotamide
2
benzamides2007200916.0low000200
pinacidil
2
pyridines2007200916.0low000200
pindolol
1
indoles;
secondary amine		antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist;
serotonergic antagonist;
vasodilator agent		2007200717.0low000100
piperidine-4-sulfonic acid
1
2007200717.0low000100
piracetam
1
organonitrogen compound;
organooxygen compound		2007200717.0low000100
pirenperone
2
aromatic ketone2007200916.0low000200
praziquantel
2
isoquinolines2007200916.0low000200
primidone
1
pyrimidoneanticonvulsant;
environmental contaminant;
xenobiotic		2007200717.0low000100
proglumide
1
benzamides;
dicarboxylic acid monoamide;
glutamine derivative;
racemate		anti-ulcer drug;
cholecystokinin antagonist;
cholinergic antagonist;
delta-opioid receptor agonist;
drug metabolite;
gastrointestinal drug;
opioid analgesic;
xenobiotic metabolite		2007200717.0low000100
propentofylline
2
oxopurine2007200916.0low000200
propofol
1
phenolsanticonvulsant;
antiemetic;
intravenous anaesthetic;
radical scavenger;
sedative		2007200717.0low000100
pf 5901
2
quinolines2007200916.0low000200
riluzole
2
benzothiazoles2007200916.0low000200
risperidone
2
1,2-benzoxazoles;
heteroarylpiperidine;
organofluorine compound;
pyridopyrimidine		alpha-adrenergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
psychotropic drug;
second generation antipsychotic;
serotonergic antagonist		2007200916.0low000200
ritanserin
2
organofluorine compound;
piperidines;
thiazolopyrimidine		antidepressant;
antipsychotic agent;
anxiolytic drug;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
serotonergic antagonist		2007200916.0low000200
4-(3-butoxy-4-methoxybenzyl)-2-imidazolidinone
1
methoxybenzenes2007200717.0low000100
rolipram
1
pyrrolidin-2-onesantidepressant;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor		2007200717.0low000100
salmeterol xinafoate
1
ether;
phenols;
primary alcohol;
secondary alcohol;
secondary amino compound		2007200717.0low000100
sb 202190
2
imidazoles;
organofluorine compound;
phenols;
pyridines		apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor		2007200916.0low000200
sobuzoxane
1
organic molecular entity2007200717.0low000100
spiroxatrine
2
imidazolidines2007200916.0low000200
sq 22536
1
nucleoside analogue;
oxolanes		EC 4.6.1.1 (adenylate cyclase) inhibitor2007200717.0low000100
sulfaphenazole
1
primary amino compound;
pyrazoles;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antibacterial drug;
EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor;
EC 1.14.13.67 (quinine 3-monooxygenase) inhibitor;
P450 inhibitor		2007200717.0low000100
sulpiride
1
benzamides;
N-alkylpyrrolidine;
sulfonamide		antidepressant;
antiemetic;
antipsychotic agent;
dopaminergic antagonist		2007200717.0low000100
t0156
2
naphthyridine derivative2007200916.0medium000200
1,4-bis(2-(3,5-dichloropyridyloxy))benzene
1
2007200717.0low000100
terfenadine
2
diarylmethane2007200916.0low000200
tetraisopropylpyrophosphamide
2
phosphoramide2007200916.0low000200
thalidomide
1
phthalimides;
piperidones		2007200717.0low000100
theobromine
1
dimethylxanthineadenosine receptor antagonist;
bronchodilator agent;
food component;
human blood serum metabolite;
mouse metabolite;
plant metabolite;
vasodilator agent		2007200717.0low000100
8-(n,n-diethylamino)octyl-3,4,5-trimethoxybenzoate
1
trihydroxybenzoic acid2007200717.0low000100
tolazamide
1
N-sulfonylureahypoglycemic agent;
potassium channel blocker		2007200717.0low000100
tolbutamide
1
N-sulfonylureahuman metabolite;
hypoglycemic agent;
insulin secretagogue;
potassium channel blocker		2007200717.0low000100
(1,2,5,6-tetrahydropyridin-4-yl)methylphosphinic acid
1
2007200717.0low000100
ici 136,753
2
pyrazolopyridine2007200916.0low000200
triamterene
2
pteridinesdiuretic;
sodium channel blocker		2007200916.0low000200
trimethoprim
2
aminopyrimidine;
methoxybenzenes		antibacterial drug;
diuretic;
drug allergen;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
environmental contaminant;
xenobiotic		2007200916.0low000200
tropicamide
1
acetamides2007200717.0low000100
tyrphostin a9
2
alkylbenzenegeroprotector2007200916.0low000200
vigabatrin
1
gamma-amino acidanticonvulsant;
EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor		2007200717.0low000100
8-(4-((2-aminoethyl)aminocarbonylmethyloxy)phenyl)-1,3-dipropylxanthine
2
2007200916.0low000200
3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole
2
aromatic primary alcohol;
furans;
indazoles		antineoplastic agent;
apoptosis inducer;
platelet aggregation inhibitor;
soluble guanylate cyclase activator;
vasodilator agent		2007200916.0low000200
zardaverine
1
organofluorine compound;
pyridazinone		anti-asthmatic drug;
bronchodilator agent;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
peripheral nervous system drug		2007200717.0low000100
cortisone acetate
1
corticosteroid hormone2007200717.0low000100
corticosterone
2
11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone		human metabolite;
mouse metabolite		2007200916.0low000200
reserpine
2
alkaloid ester;
methyl ester;
yohimban alkaloid		adrenergic uptake inhibitor;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
first generation antipsychotic;
plant metabolite;
xenobiotic		2007200916.0low000200
procaine hydrochloride
1
organic molecular entity2007200717.0low000100
isoproterenol hydrochloride
2
catechols2007200916.0low000200
histamine dihydrochloride
1
2007200717.0low000100
carbachol
1
ammonium salt;
carbamate ester		cardiotonic drug;
miotic;
muscarinic agonist;
nicotinic acetylcholine receptor agonist;
non-narcotic analgesic		2007200717.0low000100
spironolactone
2
3-oxo-Delta(4) steroid;
oxaspiro compound;
steroid lactone;
thioester		aldosterone antagonist;
antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic		2007200916.0low000200
estrone
2
17-oxo steroid;
3-hydroxy steroid;
phenolic steroid;
phenols		antineoplastic agent;
bone density conservation agent;
estrogen;
human metabolite;
mouse metabolite		2007200916.0low000200
androsterone
2
17-oxo steroid;
3alpha-hydroxy steroid;
androstanoid;
C19-steroid		androgen;
anticonvulsant;
human blood serum metabolite;
human metabolite;
human urinary metabolite;
mouse metabolite;
pheromone		2007200916.0low000200
promazine hydrochloride
2
hydrochloride2007200916.0low000200
pilocarpine hydrochloride
1
hydrochloride2007200717.0low000100
dimethylphenylpiperazinium iodide
2
N-arylpiperazine;
organic iodide salt;
piperazinium salt;
quaternary ammonium salt		nicotinic acetylcholine receptor agonist2007200916.0low000200
pentylenetetrazole
1
organic heterobicyclic compound;
organonitrogen heterocyclic compound		2007200717.0low000100
racepinephrine hydrochloride
2
2007200916.0medium000200
(4-(m-chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium chloride
2
2007200916.0low000200
hexamethonium bromide
1
2007200717.0low000100
cystamine dihydrochloride
1
2007200717.0medium000100
cantharidin
2
cyclic dicarboxylic anhydride;
monoterpenoid		EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
herbicide		2007200916.0low000200
tetraethylammonium chloride
2
organic chloride salt;
quaternary ammonium salt		potassium channel blocker2007200916.0medium000200
aspartic acid
1
aspartate family amino acid;
aspartic acid;
L-alpha-amino acid;
proteinogenic amino acid		Escherichia coli metabolite;
mouse metabolite;
neurotransmitter		2007200717.0low000100
glutamine
1
amino acid zwitterion;
glutamine family amino acid;
glutamine;
L-alpha-amino acid;
polar amino acid zwitterion;
proteinogenic amino acid		EC 1.14.13.39 (nitric oxide synthase) inhibitor;
Escherichia coli metabolite;
human metabolite;
metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite		2007200717.0low000100
vincristine
1
acetate ester;
formamides;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
tertiary alcohol;
tertiary amino compound;
vinca alkaloid		antineoplastic agent;
drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator		2007200717.0low000100
physostigmine
2
carbamate ester;
indole alkaloid		antidote to curare poisoning;
EC 3.1.1.8 (cholinesterase) inhibitor;
miotic		2007200916.0low000200
apomorphine
1
aporphine alkaloidalpha-adrenergic drug;
antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
emetic;
serotonergic drug		2007200717.0low000100
promethazine hydrochloride
2
hydrochlorideanti-allergic agent;
anticoronaviral agent;
antiemetic;
antipruritic drug;
geroprotector;
H1-receptor antagonist;
local anaesthetic;
sedative		2007200916.0medium000200
bromodeoxyuridine
1
pyrimidine 2'-deoxyribonucleosideantimetabolite;
antineoplastic agent		2007200717.0low000100
levodopa
1
amino acid zwitterion;
dopa;
L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid		allelochemical;
antidyskinesia agent;
antiparkinson drug;
dopaminergic agent;
hapten;
human metabolite;
mouse metabolite;
neurotoxin;
plant growth retardant;
plant metabolite;
prodrug		2007200717.0low000100
methoxamine hydrochloride
2
dimethoxybenzene2007200916.0medium000200
papaverine hydrochloride
2
2007200916.0low000200
bretylium tosylate
2
organosulfonate salt;
quaternary ammonium salt		adrenergic antagonist;
anti-arrhythmia drug;
antihypertensive agent		2007200916.0low000200
berlition
1
dithiolanes;
heterocyclic fatty acid;
lipoic acid;
thia fatty acid		cofactor;
nutraceutical;
prosthetic group		2007200717.0low000100
methacholine chloride
1
quaternary ammonium salt2007200717.0low000100
androstenedione
2
17-oxo steroid;
3-oxo-Delta(4) steroid;
androstanoid		androgen;
Daphnia magna metabolite;
human metabolite;
mouse metabolite		2007200916.0low000200
colchicine
2
alkaloid;
colchicine		anti-inflammatory agent;
gout suppressant;
mutagen		2007200916.0low000200
yohimbine hydrochloride
2
2007200916.0low000200
gallamine triethiodide
1
2007200717.0low000100
cycloheximide
1
antibiotic fungicide;
cyclic ketone;
dicarboximide;
piperidine antibiotic;
piperidones;
secondary alcohol		anticoronaviral agent;
bacterial metabolite;
ferroptosis inhibitor;
neuroprotective agent;
protein synthesis inhibitor		2007200717.0low000100
egtazic acid
1
diether;
tertiary amino compound;
tetracarboxylic acid		chelator2007200717.0low000100
cycloserine
1
4-amino-1,2-oxazolidin-3-one;
organonitrogen heterocyclic antibiotic;
organooxygen heterocyclic antibiotic;
zwitterion		antiinfective agent;
antimetabolite;
antitubercular agent;
metabolite;
NMDA receptor agonist		2007200717.0low000100
17-alpha-hydroxyprogesterone
2
17alpha-hydroxy-C21-steroid;
17alpha-hydroxy steroid;
tertiary alpha-hydroxy ketone		human metabolite;
metabolite;
mouse metabolite;
progestin		2007200916.0low000200
quinacrine monohydrochloride
2
2007200916.0high000200
chlorpromazine hydrochloride
2
hydrochloride;
phenothiazines		anticoronaviral agent;
phenothiazine antipsychotic drug		2007200916.0medium000200
cytarabine hydrochloride
1
2007200717.0low000100
tryptophan
2
erythrose 4-phosphate/phosphoenolpyruvate family amino acid;
L-alpha-amino acid zwitterion;
L-alpha-amino acid;
proteinogenic amino acid;
tryptophan zwitterion;
tryptophan		antidepressant;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite		2007200916.0low000200
lidocaine hydrochloride
2
hydrochlorideanti-arrhythmia drug;
local anaesthetic		2007200916.0medium000200
arginine
1
arginine;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid		biomarker;
Escherichia coli metabolite;
micronutrient;
mouse metabolite;
nutraceutical		2007200717.0low000100
rotenone
2
organic heteropentacyclic compound;
rotenones		antineoplastic agent;
metabolite;
mitochondrial NADH:ubiquinone reductase inhibitor;
phytogenic insecticide;
piscicide;
toxin		2007200916.0low000200
synephrine
1
ethanolamines;
phenethylamine alkaloid;
phenols		alpha-adrenergic agonist;
plant metabolite		2007200717.0low000100
pyridostigmine bromide
1
pyridinium salt2007200717.0low000100
imipramine hydrochloride
2
hydrochlorideantidepressant2007200916.0low000200
neostigmine bromide
1
bromide salt2007200717.0low000100
edrophonium chloride
1
chloride salt;
quaternary ammonium salt		antidote;
diagnostic agent;
EC 3.1.1.8 (cholinesterase) inhibitor		2007200717.0low000100
suramin sodium
2
organic sodium saltangiogenesis inhibitor;
antinematodal drug;
antineoplastic agent;
apoptosis inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
GABA antagonist;
GABA-gated chloride channel antagonist;
purinergic receptor P2 antagonist;
ryanodine receptor agonist;
trypanocidal drug		2007200916.0medium000200
pyrazolanthrone
2
anthrapyrazole;
aromatic ketone;
cyclic ketone		antineoplastic agent;
c-Jun N-terminal kinase inhibitor;
geroprotector		2007200916.0low000200
methapyrilene hydrochloride
2
hydrochlorideanti-allergic agent;
carcinogenic agent;
H1-receptor antagonist;
sedative		2007200916.0low000200
tetrracaine hydrochloride
1
benzoate ester2007200717.0low000100
chelidamic acid
1
2007200717.0low000100
2-chloroadenosine
2
purine nucleoside2007200916.0low000200
diphenhydramine hydrochloride
2
hydrochloride;
organoammonium salt		anti-allergic agent;
antiemetic;
antiparkinson drug;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
muscarinic antagonist;
sedative		2007200916.0low000200
cysteamine hydrochloride
1
2007200717.0low000100
propantheline bromide
2
xanthenes2007200916.0low000200
hydralazine hydrochloride
1
hydrochlorideantihypertensive agent;
vasodilator agent		2007200717.0low000100
ethamivan
1
methoxybenzenes;
phenols		2007200717.0low000100
pargyline hydrochloride
2
2007200916.0low000200
aminophylline
1
mixturebronchodilator agent;
cardiotonic drug		2007200717.0low000100
azacitidine
1
N-glycosyl-1,3,5-triazine;
nucleoside analogue		antineoplastic agent2007200717.0low000100
orphenadrine hydrochloride
2
hydrochlorideantiparkinson drug;
H1-receptor antagonist;
muscarinic antagonist;
muscle relaxant;
NMDA receptor antagonist;
parasympatholytic		2007200916.0medium000200
betamethasone
2
11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		anti-asthmatic agent;
anti-inflammatory drug;
immunosuppressive agent		2007200916.0low000200
benzenaminium, 4,4'-(3-oxo-1,5-pentanediyl)bis(n,n-dimethyl-n-2-propenyl-), dibromide
2
2007200916.0low000200
cyproterone acetate
2
20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
chlorinated steroid;
steroid ester		androgen antagonist;
geroprotector;
progestin		2007200916.0low000200
bicuculline
1
benzylisoquinoline alkaloid;
isoquinoline alkaloid;
isoquinolines		agrochemical;
central nervous system stimulant;
GABA-gated chloride channel antagonist;
GABAA receptor antagonist;
neurotoxin		2007200717.0low000100
kainic acid
1
dicarboxylic acid;
L-proline derivative;
non-proteinogenic L-alpha-amino acid;
pyrrolidinecarboxylic acid		antinematodal drug;
excitatory amino acid agonist		2007200717.0low000100
podophyllotoxin
2
furonaphthodioxole;
lignan;
organic heterotetracyclic compound		antimitotic;
antineoplastic agent;
keratolytic drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator		2007200916.0low000200
tetrahydrozoline hydrochloride
2
hydrochloridenasal decongestant;
sympathomimetic agent;
vasoconstrictor agent		2007200916.0low000200
dequalinium chloride
2
organic chloride saltantifungal agent;
antineoplastic agent;
antiseptic drug;
mitochondrial NADH:ubiquinone reductase inhibitor		2007200916.0low000200
decamethonium dibromide
2
2007200916.0low000200
amitriptyline hydrochloride
2
organic tricyclic compound2007200916.0low000200
naphazoline hydrochloride
2
organic molecular entity2007200916.0low000200
doxylamine succinate
2
organic molecular entity2007200916.0low000200
carbamylhydrazine monohydrochloride
1
organic molecular entity2007200717.0medium000100
formestane
2
17-oxo steroid;
3-oxo-Delta(4) steroid;
enol;
hydroxy steroid		antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor		2007200916.0low000200
debrisoquin sulfate
1
organic sulfate salt2007200717.0low000100
betaine hydrochloride
1
2007200717.0low000100
bethanechol chloride
1
carbamate ester;
chloride salt;
quaternary ammonium salt		muscarinic agonist2007200717.0low000100
acetylcysteine
1
acetylcysteine;
L-cysteine derivative;
N-acetyl-L-amino acid		antidote to paracetamol poisoning;
antiinfective agent;
antioxidant;
antiviral drug;
ferroptosis inhibitor;
geroprotector;
human metabolite;
mucolytic;
radical scavenger;
vulnerary		2007200717.0low000100
Mecamylamine hydrochloride
2
monoterpenoid2007200916.0high000200
vinblastine
1
2007200717.0low000100
cyproheptadine hydrochloride (anhydrous)
2
hydrochloride2007200916.0medium000200
5 alpha-androstane-3 alpha,17 beta-diol
1
androstane-3alpha,17beta-diolDaphnia magna metabolite;
human metabolite		2007200717.0low000100
pimozide
2
benzimidazoles;
heteroarylpiperidine;
organofluorine compound		antidyskinesia agent;
dopaminergic antagonist;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist		2007200916.0low000200
azetidyl-2-carboxylic acid
1
azetidine-2-carboxylic acid2007200717.0low000100
muscarine
1
2007200717.0medium000100
antazoline hydrochloride
2
2007200916.0medium000200
doxifluridine
1
organofluorine compound;
pyrimidine 5'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
prodrug		2007200717.0low000100
meclofenoxate hydrochloride
1
2007200717.0low000100
clonidine hydrochloride
1
dichlorobenzene2007200717.0low000100
beclomethasone
2
11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
chlorinated steroid;
corticosteroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		anti-asthmatic drug;
anti-inflammatory drug		2007200916.0low000200
buthionine sulfoximine
2
diastereoisomeric mixture;
homocysteines;
non-proteinogenic alpha-amino acid;
sulfoximide		EC 6.3.2.2 (glutamate--cysteine ligase) inhibitor;
ferroptosis inducer		2007200916.0low000200
mexiletine hydrochloride
2
hydrochlorideanti-arrhythmia drug2007200916.0low000200
cyclophosphamide
1
hydratealkylating agent;
antineoplastic agent;
carcinogenic agent;
immunosuppressive agent		2007200717.0low000100
suxamethonium chloride
1
chloride saltmuscle relaxant2007200717.0low000100
cyclobenzaprine hydrochloride
2
hydrochlorideantidepressant;
muscle relaxant		2007200916.0low000200
n-methylaspartate
1
amino dicarboxylic acid;
D-alpha-amino acid;
D-aspartic acid derivative;
secondary amino compound		neurotransmitter agent2007200717.0low000100
3-deazaadenosine
2
2007200916.0low000200
metoclopramide hydrochloride
2
2007200916.0medium000200
isoetharine mesylate
2
2007200916.0medium000200
zalcitabine
1
pyrimidine 2',3'-dideoxyribonucleosideantimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor		2007200717.0low000100
propionylpromazine hydrochloride
2
2007200916.0medium000200
camptothecin
2
delta-lactone;
pyranoindolizinoquinoline;
quinoline alkaloid;
tertiary alcohol		antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
genotoxin;
plant metabolite		2007200916.0low000200
nsc-145,668
1
hydrochlorideantimetabolite;
antineoplastic agent		2007200717.0medium000100
clodronic acid
1
1,1-bis(phosphonic acid);
one-carbon compound;
organochlorine compound		antineoplastic agent;
bone density conservation agent		2007200717.0low000100
benserazide hydrochloride
2
hydrochlorideantiparkinson drug;
dopaminergic agent;
EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor		2007200916.0low000200
pancuronium bromide
2
bromide saltcholinergic antagonist;
muscle relaxant;
nicotinic antagonist		2007200916.0high000200
tetradecanoylphorbol acetate
2
acetate ester;
diester;
phorbol ester;
tertiary alpha-hydroxy ketone;
tetradecanoate ester		antineoplastic agent;
apoptosis inducer;
carcinogenic agent;
mitogen;
plant metabolite;
protein kinase C agonist;
reactive oxygen species generator		2007200916.0low000200
danazol
2
17beta-hydroxy steroid;
terminal acetylenic compound		anti-estrogen;
estrogen antagonist;
geroprotector		2007200916.0low000200
metergoline
2
carbamate ester;
ergoline alkaloid		dopamine agonist;
geroprotector;
serotonergic antagonist		2007200916.0low000200
lisuride
1
monocarboxylic acid amideantidyskinesia agent;
antiparkinson drug;
dopamine agonist;
serotonergic agonist		2007200717.0low000100
disopyramide phosphate
2
organoammonium phosphate2007200916.0medium000200
2-bromoergocryptine mesylate
1
methanesulfonate saltantiparkinson drug2009200915.0medium000100
bromocriptine
1
indole alkaloidantidyskinesia agent;
antiparkinson drug;
dopamine agonist;
hormone antagonist		2007200717.0low000100
ergocristine
1
ergot alkaloid2007200717.0low000100
triamcinolone
1
11beta-hydroxy steroid;
16alpha-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid hormone;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		anti-allergic agent;
anti-inflammatory drug		2007200717.0low000100
zidovudine
1
azide;
pyrimidine 2',3'-dideoxyribonucleoside		antimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor		2007200717.0low000100
paclitaxel
2
taxane diterpenoid;
tetracyclic diterpenoid		antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent		2007200916.0low000200
buspirone hydrochloride
2
hydrochlorideanxiolytic drug;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
sedative;
serotonergic agonist		2007200916.0medium000200
etoposide
2
beta-D-glucoside;
furonaphthodioxole;
organic heterotetracyclic compound		antineoplastic agent;
DNA synthesis inhibitor		2007200916.0low000200
propafenone hydrochloride
2
hydrochlorideanti-arrhythmia drug2007200916.0medium000200
etazolate hydrochloride
2
2007200916.0medium000200
butaclamol
1
amino alcohol;
organic heteropentacyclic compound;
tertiary alcohol;
tertiary amino compound		dopaminergic antagonist2007200717.0low000100
ribavirin
2
1-ribosyltriazole;
aromatic amide;
monocarboxylic acid amide;
primary carboxamide		anticoronaviral agent;
antiinfective agent;
antimetabolite;
antiviral agent;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor		2007200916.0low000200
carbidopa
2
catechols;
hydrate;
hydrazines;
monocarboxylic acid		antidyskinesia agent;
antiparkinson drug;
dopaminergic agent;
EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor		2007200916.0medium000200
cephradine
1
beta-lactam antibiotic allergen;
cephalosporin		antibacterial drug2007200717.0low000100
methyldopa
1
L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid		alpha-adrenergic agonist;
antihypertensive agent;
hapten;
peripheral nervous system drug;
sympatholytic agent		2007200717.0low000100
lonidamine
1
dichlorobenzene;
indazoles;
monocarboxylic acid		antineoplastic agent;
antispermatogenic agent;
EC 2.7.1.1 (hexokinase) inhibitor;
geroprotector		2007200717.0low000100
dexibuprofen
1
ibuprofennon-narcotic analgesic;
non-steroidal anti-inflammatory drug		2007200717.0low000100
quisqualic acid
1
non-proteinogenic alpha-amino acid2007200717.0low000100
pirfenidone
1
pyridoneantipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		2007200717.0low000100
flecainide acetate
2
acetate saltanti-arrhythmia drug2007200916.0medium000200
nicardipine hydrochloride
2
dihydropyridinegeroprotector2007200916.0low000200
idarubicin
2
anthracycline antibiotic;
deoxy hexoside;
monosaccharide derivative		2007200916.0low000200
captopril
1
alkanethiol;
L-proline derivative;
N-acylpyrrolidine;
pyrrolidinemonocarboxylic acid		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor		2007200717.0low000100
terazosin hydrochloride anhydrous
2
2007200916.0medium000200
pergolide mesylate
2
methanesulfonate saltantiparkinson drug;
dopamine agonist;
geroprotector		2007200916.0low000200
ranitidine hydrochloride
1
2007200717.0medium000100
colforsin
1
acetate ester;
cyclic ketone;
labdane diterpenoid;
organic heterotricyclic compound;
tertiary alpha-hydroxy ketone;
triol		adenylate cyclase agonist;
anti-HIV agent;
antihypertensive agent;
plant metabolite;
platelet aggregation inhibitor;
protein kinase A agonist		2007200717.0low000100
cefaclor anhydrous
1
cephalosporinantibacterial drug;
drug allergen		2007200717.0low000100
alo 2145
1
hydrochloridealpha-adrenergic agonist;
antiglaucoma drug		2007200717.0medium000100
enoximone
1
aromatic ketone2007200717.0low000100
atomoxetine
2
aromatic ether;
secondary amino compound;
toluenes		adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
xenobiotic		2007200916.0low000200
raloxifene hydrochloride
2
hydrochloridebone density conservation agent;
estrogen antagonist;
estrogen receptor modulator		2007200916.0low000200
mifepristone
2
3-oxo-Delta(4) steroid;
acetylenic compound;
tertiary amino compound		abortifacient;
contraceptive drug;
hormone antagonist;
synthetic oral contraceptive		2007200916.0low000200
quinpirole hydrochloride
1
2007200717.0low000100
imazodan
1
2007200717.0low000100
salmeterol xinafoate
1
naphthoic acid2009200915.0low000100
finasteride
1
3-oxo steroid;
aza-steroid;
delta-lactam		androgen antagonist;
antihyperplasia drug;
EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor		2009200915.0low000100
mibefradil dihydrochloride
2
2007200916.0medium000200
eliprodil
1
monochlorobenzenes;
monofluorobenzenes;
piperidines;
secondary alcohol;
tertiary amino compound		2009200915.0low000100
aptiganel hydrochloride
2
2007200916.0medium000200
adenosine
1
adenosines;
purines D-ribonucleoside		analgesic;
anti-arrhythmia drug;
fundamental metabolite;
human metabolite;
vasodilator agent		2007200717.0low000100
phenelzine sulfate
2
organic molecular entity2007200916.0low000200
fluoxetine hydrochloride
2
hydrochloride;
N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine		2007200916.0medium000200
propranolol hydrochloride
2
hydrochloride2007200916.0low000200
bupropion hydrochloride
2
aromatic ketone2007200916.0low000200
diltiazem hydrochloride
1
hydrochlorideantihypertensive agent;
calcium channel blocker;
vasodilator agent		2007200717.0low000100
trazodone hydrochloride
2
hydrochlorideadrenergic antagonist;
antidepressant;
H1-receptor antagonist;
sedative;
serotonin uptake inhibitor		2007200916.0low000200
verapamil hydrochloride
2
2007200916.0low000200
doxazosin mesylate
2
methanesulfonate saltgeroprotector2007200916.0low000200
terfenadine
2
diarylmethane2007200916.0medium000200
sertraline hydrochloride
1
hydrochlorideantidepressant;
serotonin uptake inhibitor		2009200915.0low000100
amantadine hydrochloride
2
hydrochlorideantiviral agent;
dopamine agonist;
NMDA receptor antagonist		2007200916.0low000200
mevastatin
1
2-pyranones;
carboxylic ester;
hexahydronaphthalenes;
polyketide;
statin (naturally occurring)		antifungal agent;
apoptosis inducer;
EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor;
fungal metabolite;
Penicillium metabolite		2007200717.0low000100
chloroquine diphosphate
2
2007200916.0low000200
dobutamine hydrochloride
2
hydrochloridebeta-adrenergic agonist;
cardiotonic drug;
sympathomimetic agent		2007200916.0medium000200
desipramine hydrochloride
2
hydrochloridedrug allergen2007200916.0low000200
dopamine hydrochloride
2
catecholamine2007200916.0low000200
proadifen hydrochloride
2
2007200916.0low000200
4-nitrobenzylthioinosine
2
purine nucleoside2007200916.0low000200
metrifudil
1
2007200717.0low000100
rutecarpine
2
beta-carbolines2007200916.0low000200
trihexyphenidyl hydrochloride
2
aralkylamine2007200916.0low000200
thioridazine hydrochloride
2
hydrochloridefirst generation antipsychotic;
geroprotector		2007200916.0medium000200
procainamide hydrochloride
1
hydrochlorideanti-arrhythmia drug2007200717.0low000100
siquil
2
hydrochlorideanticoronaviral agent2007200916.0low000200
sotalol hydrochloride
1
hydrochlorideanti-arrhythmia drug;
beta-adrenergic antagonist		2007200717.0low000100
oxymetazoline hydrochloride
2
hydrochloridealpha-adrenergic agonist;
nasal decongestant;
sympathomimetic agent;
vasoconstrictor agent		2007200916.0medium000200
alprenolol hydrochloride
2
hydrochloride2007200916.0medium000200
2-methoxyestradiol
2
17beta-hydroxy steroid;
3-hydroxy steroid		angiogenesis modulating agent;
antimitotic;
antineoplastic agent;
human metabolite;
metabolite;
mouse metabolite		2007200916.0low000200
fluphenazine hydrochloride
2
phenothiazinesanticoronaviral agent2007200916.0medium000200
tryptamine monohydrochloride
2
2007200916.0high000200
clomipramine hydrochloride
2
hydrochlorideanticoronaviral agent;
antidepressant;
serotonergic antagonist;
serotonergic drug		2007200916.0medium000200
amiloride hydrochloride
2
hydratediuretic;
sodium channel blocker		2007200916.0medium000200
prazosin hydrochloride
2
hydrochloride2007200916.0low000200
mianserin hydrochloride
2
hydrochloridegeroprotector2007200916.0medium000200
lomefloxacin hydrochloride
2
hydrochlorideantimicrobial agent;
antitubercular agent;
photosensitizing agent		2007200916.0medium000200
fenspiride hydrochloride
2
2007200916.0low000200
nilverm
2
organic molecular entity2007200916.0medium000200
sanguinarine chloride
2
2007200916.0medium000200
ropinirole hydrochloride
2
indoles2007200916.0high000200
plasmenylserine
1
O-phosphoserineEC 1.4.7.1 [glutamate synthase (ferredoxin)] inhibitor;
EC 2.5.1.49 (O-acetylhomoserine aminocarboxypropyltransferase) inhibitor;
EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		2007200717.0low000100
5-aminovaleric acid hydrochloride
1
2007200717.0low000100
n-acetyltryptamine
1
acetamides;
indoles		2007200717.0low000100
D-serine
1
D-alpha-amino acid;
serine zwitterion;
serine		Escherichia coli metabolite;
human metabolite;
NMDA receptor agonist		2007200717.0low000100
dihydroergotamine mesylate
2
methanesulfonate saltnon-narcotic analgesic;
serotonergic agonist;
vasoconstrictor agent		2007200916.0medium000200
ranolazine hydrochloride
2
2007200916.0high000200
loxapine succinate
2
succinate saltgeroprotector2007200916.0low000200
guanfacine hydrochloride
2
acetamidesgeroprotector2007200916.0medium000200
pirenzepine dihydrochloride
1
hydrochloride2007200717.0medium000100
labetalol hydrochloride
2
salicylamides2007200916.0medium000200
acecainide hydrochloride
1
2007200717.0low000100
loperamide hydrochloride
2
hydrochlorideanticoronaviral agent;
antidiarrhoeal drug;
mu-opioid receptor agonist		2007200916.0medium000200
maprotiline hydrochloride
2
anthracenes2007200916.0medium000200
protoporphyrin ix, disodium salt
1
2007200717.0low000100
opipramol hydrochloride
1
2009200915.0low000100
siguazodan
1
pyridazinone2007200717.0low000100
3-octadecanamido-2-ethoxypropylphosphocholine
1
2007200717.0low000100
chelerythrine chloride
2
2007200916.0medium000200
tosyllysine chloromethyl ketone
2
2007200916.0medium000200
5-(n-methyl-n-isobutyl)amiloride
2
2007200916.0low000200
1-(5-isoquinolinesulfonyl)-2-methylpiperazine dihydrochloride
2
hydrochlorideEC 2.7.11.13 (protein kinase C) inhibitor2007200916.0high000200
amperozide hydrochloride
2
hydrochlorideanxiolytic drug;
dopamine uptake inhibitor;
geroprotector;
second generation antipsychotic;
serotonergic antagonist		2007200916.0medium000200
pyrrolidine dithiocarbamic acid
2
2007200916.0high000200
agroclavine
1
ergot alkaloid2007200717.0low000100
s-methylisothiourea sulfate
1
2007200717.0medium000100
p-Aminobenzamidine dihydrochloride
2
organic molecular entity2007200916.0high000200
benzamidine hydrochloride
1
2007200717.0medium000100
ketorolac tromethamine
1
organoammonium saltanalgesic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor		2007200717.0low000100
methionine sulfoximine
1
L-alpha-amino acid zwitterion;
L-methionine derivative;
methionine sulfoximine;
non-proteinogenic L-alpha-amino acid		EC 6.3.1.2 (glutamate--ammonia ligase) inhibitor;
geroprotector		2007200717.0low000100
tretazicar
1
2007200717.0low000100
carbetapentane citrate
2
carbonyl compound2007200916.0medium000200
phentolamine mesylate
2
2007200916.0medium000200
mephentermine
2
2-aminooctadecane-1,3-diolEC 2.7.11.13 (protein kinase C) inhibitor;
human metabolite;
mouse metabolite		2007200916.0medium000200
oxybutynin hydrochloride
2
hydrochloride2007200916.0medium000200
nimustine
1
hydrochlorideantineoplastic agent2007200717.0medium000100
cordium
1
hydrate;
hydrochloride		2007200717.0medium000100
L-2-aminoadipic acid
1
2-aminoadipic acidEscherichia coli metabolite;
human metabolite		2007200717.0low000100
prilocaine hydrochloride
2
hydrochloridelocal anaesthetic2007200916.0low000200
mor-14
1
hydroxypiperidine;
piperidine alkaloid;
tertiary amino compound		anti-HIV agent;
cardioprotective agent;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
plant metabolite		2007200717.0low000100
brexanolone
2
3-hydroxy-5alpha-pregnan-20-oneantidepressant;
GABA modulator;
human metabolite;
intravenous anaesthetic;
sedative		2007200916.0low000200
phenylisopropyladenosine
1
aromatic amine;
benzenes;
hydrocarbyladenosine;
purine nucleoside;
secondary amino compound		adenosine A1 receptor agonist;
neuroprotective agent		2007200717.0low000100
hexamethonium chloride
1
2007200717.0low000100
6-(4-nitrobenzylthio)guanosine
2
2007200916.0low000200
3-aminopropylphosphonic acid
1
phosphonic acids;
primary amino compound;
zwitterion		GABAB receptor agonist2007200717.0low000100
5'-n-methylcarboxamideadenosine
1
2007200717.0low000100
3,7-dimethyl-1-propargylxanthine
1
2007200717.0low000100
zpck
2
2007200916.0low000200
n(6)-phenyladenosine
1
purine nucleoside2007200717.0low000100
tetrahydrodeoxycorticosterone
2
21-hydroxy steroid2007200916.0low000200
n-methyladenosine
1
methyladenosine2007200717.0low000100
mizoribine
1
imidazolesanticoronaviral agent2007200717.0low000100
1-amino-1,3-dicarboxycyclopentane
1
2007200717.0low000100
u 73122
1
aromatic ether;
aza-steroid;
maleimides		EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor2007200717.0low000100
alphaxalone
1
corticosteroid hormone2007200717.0low000100
s-nitrosoglutathione
1
glutathione derivative;
nitrosothio compound		bronchodilator agent;
nitric oxide donor;
platelet aggregation inhibitor;
signalling molecule		2007200717.0low000100
cp-55,940
2
2007200916.0low000200
vanoxerine
2
hydrochloridedopamine uptake inhibitor2007200916.0low000200
1-(2-(3-(4-methoxyphenyl)propoxy)-4-methoxyphenylethyl)-1h-imidazole
1
ether;
imidazoles;
monomethoxybenzene		TRP channel blocker2009200915.0low000100
methyl 6,7-dimethoxy-4-ethyl-beta-carboline-3-carboxylate
2
beta-carbolines2007200916.0low000200
u 69593
2
monocarboxylic acid amide;
N-alkylpyrrolidine;
organic heterobicyclic compound;
oxaspiro compound		anti-inflammatory agent;
diuretic;
kappa-opioid receptor agonist		2007200916.0low000200
u 78517f
1
2009200915.0low000100
cv 3988
2
2007200916.0low000200
beta-carboline-3-carboxylic acid methyl ester
2
beta-carbolines2007200916.0low000200
methoctramine
2
hydrochloridemuscarinic antagonist2007200916.0low000200
hypotaurine
1
aminosulfinic acid;
zwitterion		human metabolite;
metabolite;
mouse metabolite		2007200717.0low000100
dihydrokainate
1
dicarboxylic acid2007200717.0low000100
gabazine
1
2007200717.0medium000100
cl 218872
1
pyridazines;
ring assembly		2007200717.0low000100
betaxolol hydrochloride
2
hydrochlorideantihypertensive agent;
beta-adrenergic antagonist		2007200916.0medium000200
catechin
1
hydrategeroprotector2007200717.0medium000100
1-(2-methoxyphenyl)-4-(4-(2-phthalimido)butyl)piperazine
2
hydrobromideserotonergic antagonist2007200916.0high000200
s-methylthiocitrulline
1
imidothiocarbamic ester;
L-arginine derivative;
L-ornithine derivative;
non-proteinogenic L-alpha-amino acid		EC 1.14.13.39 (nitric oxide synthase) inhibitor;
neuroprotective agent		2007200717.0low000100
dihydrocapsaicin
1
capsaicinoid2007200717.0low000100
ml 9
1
2007200717.0low000100
parthenolide
2
germacranolide2007200916.0low000200
3',4'-dichlorobenzamil
2
guanidines;
pyrazines		2007200916.0low000200
1-(carboxymethylthio)tetradecane
1
straight-chain fatty acid2007200717.0low000100
2-iodomelatonin
1
acetamides2007200717.0low000100
arcaine, sulfate
1
2007200717.0low000100
gr 113808
2
indolyl carboxylate ester;
piperidines;
sulfonamide		serotonergic antagonist2007200916.0low000200
gallopamil hydrochloride
2
2007200916.0medium000200
gamma-glutamylaminomethylsulfonic acid
1
2007200717.0low000100
buthionine sulfoximine
2
2-amino-4-(S-butylsulfonimidoyl)butanoic acidEC 6.3.2.2 (glutamate--cysteine ligase) inhibitor;
ferroptosis inducer		2007200916.0medium000200
sb 204070a
2
2007200916.0low000200
1-(2-(4-aminophenyl)ethyl)-4-(3-trifluoromethylphenyl)piperazine
2
(trifluoromethyl)benzenes;
N-alkylpiperazine;
N-arylpiperazine;
primary arylamine;
substituted aniline		geroprotector;
serotonergic agonist		2007200916.0low000200
l 655240
1
methylindole2007200717.0low000100
san 58035
2
2007200916.0low000200
mk 912
1
2009200915.0low000100
nnc 711
1
2007200717.0low000100
4-(alpha-(4-allyl-2,5-dimethyl-1-piperazinyl)-3-methoxybenzyl)-n,n-diethylbenzamide
2
diarylmethane2007200916.0low000200
sk&f 86466
1
benzazepine2009200915.0low000100
e 64
2
dicarboxylic acid monoamide;
epoxy monocarboxylic acid;
guanidines;
L-leucine derivative;
zwitterion		antimalarial;
antiparasitic agent;
protease inhibitor		2007200916.0low000200
azetidine-2,4-dicarboxylic acid
1
2007200717.0low000100
w 7
1
2009200915.0medium000100
pre 084
2
morpholines2007200916.0low000200
methotrexate
2
dicarboxylic acid;
monocarboxylic acid amide;
pteridines		abortifacient;
antimetabolite;
antineoplastic agent;
antirheumatic drug;
dermatologic drug;
DNA synthesis inhibitor;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
immunosuppressive agent		2007200916.0low000200
1-(2-allylphenoxy)-3-((8-bromoacetylamino-4-menthane-1-yl)amino)-1-propanol
2
2007200916.0low000200
sr 2640
2
quinolines2007200916.0low000200
ici 204448
1
2007200717.0medium000100
4-amino-1-(6-chloro-2-pyridyl)piperidine hydrochloride
1
2007200717.0low000100
n,n-di-n-hexyl-2-(4-fluorophenyl)indole-3-acetamide
2
phenylindole2007200916.0low000200
4-(benzodioxan-5-yl)-1-(indan-2-yl)piperazine
1
2009200915.0low000100
3,5-bis(trifluoromethyl)benzyl n-acetyltryptophan
1
2007200717.0low000100
8-cyclopentyl-3-(3-((4-(fluorosulfonyl)benzoyl)oxy)propyl)-1-propylxanthine
2
2007200916.0low000200
l 741626
2
piperidines2007200916.0low000200
nisoxetine hydrochloride
2
2007200916.0medium000200
ng-nitroarginine methyl ester
1
hydrochlorideEC 1.14.13.39 (nitric oxide synthase) inhibitor2007200717.0low000100
tilarginine acetate
1
2007200717.0low000100
alpha-guanidinoglutaric acid
1
L-glutamic acid derivative2007200717.0low000100
3,4-dichloro-n-methyl-n-(2-(1-pyrrolidinyl)cyclohexyl)-benzeneacetamide, (trans)-(+-)-isomer
2
2007200916.0medium000200
imidazole-4-acetic acid hydrochloride
1
2007200717.0medium000100
nsc-141549
2
2007200916.0medium000200
2-chloro-2-deoxyglucose
1
2007200717.0medium000100
idazoxan hydrochloride
2
2007200916.0medium000200
isoguvacine hydrochloride
1
2007200717.0low000100
8-methoxymethyl-3-isobutyl-1-methylxanthine
1
oxopurine2007200717.0low000100
cyc 202
2
2,6-diaminopurinesantiviral drug;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor		2007200916.0low000200
Serotonin hydrochloride
1
tryptamines2007200717.0low000100
n-phthaloylglutamic acid
1
L-glutamic acid derivative;
phthalimides		2007200717.0low000100
1,3-dipropyl-7-methylxanthine
1
2007200717.0low000100
ag 3-5
1
C-nitro compound2007200717.0low000100
n-n-propylnorapomorphine
1
aporphine alkaloid2007200717.0low000100
urapidil monohydrochloride
2
2007200916.0medium000200
aminopterin
2
dicarboxylic acidEC 1.5.1.3 (dihydrofolate reductase) inhibitor;
mutagen		2007200916.0low000200
azepexole, dihydrochloride
1
2007200717.0low000100
2,5-dimethoxy-4-iodoamphetamine hydrochloride
1
2007200717.0medium000100
abt 980
2
2007200916.0medium000200
sk&f 75670
2
2007200916.0low000200
esatenolol
1
atenololbeta-adrenergic antagonist2007200717.0low000100
nbi 27914
2
dialkylarylamine;
tertiary amino compound		2007200916.0low000200
sb 216763
2
indoles;
maleimides		2007200916.0low000200
dizocilpine
1
secondary amino compound;
tetracyclic antidepressant		anaesthetic;
anticonvulsant;
neuroprotective agent;
nicotinic antagonist;
NMDA receptor antagonist		2009200915.0low000100
(R)-atenolol
1
atenolol2007200717.0low000100
memantine hydrochloride
2
hydrochlorideantidepressant;
antiparkinson drug;
dopaminergic agent;
neuroprotective agent;
NMDA receptor antagonist		2007200916.0medium000200
pefabloc
1
2007200717.0low000100
pongidae
2
2007200916.0high000200
succinylproline
1
N-acyl-amino acid2007200717.0low000100
sb 205384
2
thienopyridine2007200916.0low000200
hydrastine
2
isoquinolinesmetabolite2007200916.0low000200
gabaculine hydrochloride
1
2007200717.0medium000100
etiron monohydrobromide
1
2007200717.0medium000100
bmy 7378
1
2007200717.0low000100
vesamicol
1
2007200717.0medium000100
cortisone
1
11-oxo steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		human metabolite;
mouse metabolite		2007200717.0low000100
vincristine sulfate
2
organic sulfate saltantineoplastic agent;
geroprotector		2007200916.0low000200
n-methylserotonin oxalate salt
1
2007200717.0medium000100
nsc 95397
2
1,4-naphthoquinones2007200916.0low000200
wortmannin
2
acetate ester;
cyclic ketone;
delta-lactone;
organic heteropentacyclic compound		anticoronaviral agent;
antineoplastic agent;
autophagy inhibitor;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
geroprotector;
Penicillium metabolite;
radiosensitizing agent		2007200916.0low000200
lithium chloride
1
inorganic chloride;
lithium salt		antimanic drug;
geroprotector		2007200717.0low000100
canavanine
1
amino acid zwitterion;
non-proteinogenic L-alpha-amino acid		phytogenic insecticide;
plant metabolite		2007200717.0low000100
5-hydroxytryptophan
1
5-hydroxytryptophan;
amino acid zwitterion;
hydroxy-L-tryptophan;
non-proteinogenic L-alpha-amino acid		human metabolite;
mouse metabolite;
plant metabolite		2007200717.0low000100
ouabain
2
11alpha-hydroxy steroid;
14beta-hydroxy steroid;
5beta-hydroxy steroid;
alpha-L-rhamnoside;
cardenolide glycoside;
steroid hormone		anti-arrhythmia drug;
cardiotonic drug;
EC 2.3.3.1 [citrate (Si)-synthase] inhibitor;
EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
ion transport inhibitor;
plant metabolite		2007200916.0low000200
tosylphenylalanyl chloromethyl ketone
1
alpha-chloroketone;
sulfonamide		alkylating agent;
serine proteinase inhibitor		2007200717.0low000100
monoiodotyrosine
1
amino acid zwitterion;
L-tyrosine derivative;
monoiodotyrosine;
non-proteinogenic L-alpha-amino acid		EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor;
human metabolite;
mouse metabolite		2007200717.0low000100
nitroarginine
1
guanidines;
L-arginine derivative;
N-nitro compound;
non-proteinogenic L-alpha-amino acid		2007200717.0low000100
willardiine
1
amino acid zwitterion;
L-alanine derivative;
non-proteinogenic L-alpha-amino acid		2007200717.0low000100
cortodoxone
2
deoxycortisol;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		human metabolite;
mouse metabolite		2007200916.0low000200
amiodarone hydrochloride
2
aromatic ketone2007200916.0medium000200
dicyclomine hydrochloride
2
hydrochlorideantispasmodic drug;
muscarinic antagonist		2007200916.0medium000200
metyrosine
1
L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid		antihypertensive agent;
EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor		2007200717.0low000100
nortriptyline hydrochloride
2
organic tricyclic compoundgeroprotector2007200916.0medium000200
paromomycin sulfate
1
2007200717.0medium000100
Dubinidine
1
organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle		2007200717.0low000100
cyclopamine
1
piperidinesglioma-associated oncogene inhibitor2007200717.0low000100
s-(4-azidophenacyl)glutathione
1
peptide2007200717.0low000100
hydroxylamine hydrochloride
2
organic molecular entity2007200916.0high000200
sb 228357
2
indolyl carboxylic acid2007200916.0high000200
3,5-dihydroxyphenylglycine
1
amino acid zwitterion;
non-proteinogenic L-alpha-amino acid;
resorcinols		2007200717.0low000100
actinonin
2
2007200916.0low000200
vinpocetine
2
alkaloidgeroprotector2007200916.0low000200
dihydroergocristine monomesylate
2
methanesulfonate saltalpha-adrenergic antagonist;
geroprotector;
vasodilator agent		2007200916.0medium000200
tretinoin
2
retinoic acid;
vitamin A		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
AP-1 antagonist;
human metabolite;
keratolytic drug;
retinoic acid receptor agonist;
retinoid X receptor agonist;
signalling molecule		2007200916.0low000200
resveratrol
2
resveratrolantioxidant;
phytoalexin;
plant metabolite;
quorum sensing inhibitor;
radical scavenger		2007200916.0low000200
oleic acid
1
octadec-9-enoic acidantioxidant;
Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
Escherichia coli metabolite;
mouse metabolite;
plant metabolite;
solvent		2007200717.0low000100
thapsigargin
2
butyrate ester;
organic heterotricyclic compound;
sesquiterpene lactone		calcium channel blocker;
EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor		2007200916.0low000200
brivudine
1
2007200717.0low000100
5,11-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol
2
carbotetracyclic compound;
polyphenol		estrogen receptor agonist;
estrogen receptor antagonist;
geroprotector;
neuroprotective agent		2007200916.0low000200
2-amino-3-(5-tert-butyl-3-(phosphonomethoxy)-4-isoxazolyl)propionic acid
1
2007200717.0medium000100
adenosine-5'-(n-ethylcarboxamide)
1
adenosines;
monocarboxylic acid amide		adenosine A1 receptor agonist;
adenosine A2A receptor agonist;
antineoplastic agent;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
vasodilator agent		2007200717.0low000100
6-bromoindirubin-3'-oxime
1
2009200915.0low000100
L-cycloserine
1
4-amino-1,2-oxazolidin-3-oneanti-HIV agent;
anticonvulsant;
EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor		2007200717.0low000100
h 89
1
N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide2009200915.0low000100
1,4-dideoxy-1,4-imino-d-arabinitol
1
2007200717.0low000100
purvalanol a
1
purvalanol2007200717.0low000100
melphalan
2
L-phenylalanine derivative;
nitrogen mustard;
non-proteinogenic L-alpha-amino acid;
organochlorine compound		alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent		2007200916.0low000200
isoliquiritigenin
2
chalconesantineoplastic agent;
biological pigment;
EC 1.14.18.1 (tyrosinase) inhibitor;
GABA modulator;
geroprotector;
metabolite;
NMDA receptor antagonist		2007200916.0low000200
rauwolscine
1
methyl 17-hydroxy-20xi-yohimban-16-carboxylate2007200717.0low000100
gw9662
2
benzamides2007200916.0low000200
calmidazolium
2
organic chloride saltapoptosis inducer;
calmodulin antagonist		2007200916.0medium000200
tropisetron hydrochloride
2
2007200916.0high000200
Reactive blue 2
1
anthraquinone2007200717.0medium000100
5,6-dichloro-1-ethyl-1,3-dihydro-2h-benzimidazol-2-one
1
dichlorobenzene2007200717.0low000100
quinidine sulfate
2
2007200916.0high000200
ipratropium bromide anhydrous
1
2007200717.0low000100
methamilane methiodide
1
2007200717.0medium000100
pilocarpine nitrate
1
2007200717.0low000100
r 59949
2
diarylmethane2007200916.0low000200
n(6)-cyclopentyladenosine
2
2007200916.0low000200
methylatropine nitrate
1
2007200717.0low000100
sb 366791
2
2007200916.0low000200
ag-213
2
2007200916.0low000200
3,3',4,5'-tetrahydroxystilbene
2
catechols;
polyphenol;
resorcinols;
stilbenol		antineoplastic agent;
apoptosis inducer;
geroprotector;
hypoglycemic agent;
plant metabolite;
protein kinase inhibitor;
tyrosine kinase inhibitor		2007200916.0low000200
bemesetron
2
2007200916.0low000200
(S)-(-)-pindolol
1
pindolol2007200717.0low000100
levosulpiride
1
sulpirideantidepressant;
antiemetic;
antipsychotic agent;
dopaminergic antagonist		2007200717.0low000100
caffeic acid
1
caffeic acidgeroprotector;
mouse metabolite		2007200717.0low000100
4-fluorophenyl-L-alanine
2
4-fluorophenylalanine;
L-phenylalanine derivative;
non-proteinogenic L-alpha-amino acid		2007200916.0medium000200
phenylthiazolylthiourea
1
2009200915.0low000100
urocanic acid
1
urocanic acidhuman metabolite2007200717.0low000100
(2'-(4-aminophenyl)-(2,5'-bi-1h-benzimidazol)-5-amine)
1
benzimidazoles2009200915.0low000100
cotinine
2
N-alkylpyrrolidine;
pyridines;
pyrrolidin-2-ones;
pyrrolidine alkaloid		antidepressant;
biomarker;
human xenobiotic metabolite;
plant metabolite		2007200916.0low000200
cinnarizine
2
diarylmethane;
N-alkylpiperazine;
olefinic compound		anti-allergic agent;
antiemetic;
calcium channel blocker;
geroprotector;
H1-receptor antagonist;
histamine antagonist;
muscarinic antagonist		2007200916.0low000200
sulindac
1
monocarboxylic acid;
organofluorine compound;
sulfoxide		analgesic;
antineoplastic agent;
antipyretic;
apoptosis inducer;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug;
tocolytic agent		2007200717.0low000100
cysteine sulfinic acid
1
organosulfinic acid;
S-substituted L-cysteine		Escherichia coli metabolite;
human metabolite;
metabotropic glutamate receptor agonist;
mouse metabolite		2007200717.0low000100
d-ap7
1
2007200717.0medium000100
tg 003
1
2009200915.0low000100
(1R,2S)-tranylcypromine hydrochloride
2
hydrochloride2007200916.0low000200
tacrine hydrochloride
2
2007200916.0low000200
4-bromotetramisole, oxalate (1:1), salt(s)-isomer
2
2007200916.0high000200
3-hydroxybenzylhydrazine hydrochloride
2
2007200916.0high000200
1-(3-chlorophenyl)biguanide hydrochloride
2
2007200916.0high000200
4-chlorophenylalanine methyl ester, hydrochloride, (dl)-isomer
1
2007200717.0medium000100
capsazepine
2
benzazepine;
catechols;
monochlorobenzenes;
thioureas		capsaicin receptor antagonist2007200916.0low000200
diphenyleneiodium chloride
2
organic chloride saltEC 1.6.3.1. [NAD(P)H oxidase (H2O2-forming)] inhibitor;
G-protein-coupled receptor agonist		2007200916.0medium000200
azetidine-2,4-dicarboxylic acid, (cis)-isomer
1
2007200717.0medium000100
tamoxifen citrate
2
citrate saltangiogenesis inhibitor;
anticoronaviral agent		2007200916.0low000200
pimagedine hydrochloride
1
2007200717.0medium000100
Betaine Aldehyde Chloride
1
quaternary ammonium salt2007200717.0medium000100
eskazine
2
2007200916.0medium000200
3-(n,n-dimethylsulfonamido)-4-methyl-nitrobenzene
1
C-nitro compound;
sulfonamide;
toluenes		bone density conservation agent;
EC 3.1.4.53 (3',5'-cyclic-AMP phosphodiesterase) inhibitor;
geroprotector		2009200915.0low000100
monastrol
1
enoate ester;
ethyl ester;
phenols;
racemate;
thioureas		antileishmanial agent;
antimitotic;
antineoplastic agent;
EC 3.5.1.5 (urease) inhibitor		2007200717.0low000100
u 0126
2
aryl sulfide;
dinitrile;
enamine;
substituted aniline		antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
osteogenesis regulator;
vasoconstrictor agent		2007200916.0low000200
4-diphenylacetoxy-n-methylpiperidine methiodide
2
iodide salt;
quaternary ammonium salt		cholinergic antagonist;
muscarinic antagonist		2007200916.0low000200
quinine
1
cinchona alkaloidantimalarial;
muscle relaxant;
non-narcotic analgesic		2009200915.0low000100
1-(4-hydroxybenzyl)imidazole-2-thiol
1
2007200717.0low000100
2-chloro-n(6)-(3-iodobenzyl)adenosine-5'-n-methyluronamide
2
2007200916.0low000200
bp 897
2
naphthalenecarboxamide2007200916.0low000200
trequinsin hydrochloride
2
2007200916.0medium000200
neboglamine
1
2007200717.0low000100
benzatropine methanesulfonate
2
2007200916.0high000200
sb 203186
1
indolyl carboxylic acid2007200717.0medium000100
n-(1-methyl-5-indolyl)-n'-(3-methyl-5-isothiazolyl)urea
2
1,2-thiazoles;
indoles;
ureas		receptor modulator;
serotonergic antagonist		2007200916.0low000200
gw 7647
2
aryl sulfide;
monocarboxylic acid;
ureas		PPARalpha agonist2007200916.0low000200
ro 41-0960
2
2007200916.0low000200
cgp 13501
1
alkylbenzene2007200717.0low000100
n-(2-(4-(4-chlorophenyl)piperazin-1-yl)ethyl)-3-methoxybenzamide
2
2007200916.0low000200
l 663536
1
aryl sulfide;
indoles;
monocarboxylic acid;
monochlorobenzenes		antineoplastic agent;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
leukotriene antagonist		2009200915.0low000100
brl 15572
2
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
secondary alcohol		geroprotector;
serotonergic antagonist		2007200916.0medium000200
mrs 1523
2
2007200916.0low000200
or486
1
2007200717.0low000100
fg 9041
2
quinoxaline derivative2007200916.0low000200
iik7
1
2007200717.0low000100
sb 415286
2
C-nitro compound;
maleimides;
monochlorobenzenes;
phenols;
secondary amino compound;
substituted aniline		antioxidant;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
neuroprotective agent		2007200916.0low000200
dm 235
2
2007200916.0low000200
jhw 015
2
indolecarboxamide2007200916.0low000200
bw 723c86
2
tryptamines2007200916.0medium000200
sc 560
2
aromatic ether;
monochlorobenzenes;
organofluorine compound;
pyrazoles		angiogenesis modulating agent;
antineoplastic agent;
apoptosis inducer;
cyclooxygenase 1 inhibitor;
non-steroidal anti-inflammatory drug		2007200916.0low000200
sc-19220
1
aromatic ether2007200717.0low000100
le 300
2
indoles2007200916.0low000200
ly 367265
2
dihydropyridine;
fluoroindole;
tertiary amino compound;
thiadiazoloquinoline		antidepressant;
geroprotector;
serotonergic antagonist;
serotonin uptake inhibitor		2007200916.0low000200
diclofenac sodium
1
organic sodium salt2007200717.0low000100
cgp 7930
2
alkylbenzene2007200916.0low000200
1,3,5-tris(4-hydroxyphenyl)-4-propyl-1h-pyrazole
2
phenols;
pyrazoles		estrogen receptor agonist2007200916.0low000200
sib 1757
2
2007200916.0low000200
sphingosine
1
sphing-4-eninehuman metabolite;
mouse metabolite		2007200717.0low000100
apigenin
2
trihydroxyflavoneantineoplastic agent;
metabolite		2007200916.0low000200
luteolin
1
3'-hydroxyflavonoid;
tetrahydroxyflavone		angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
c-Jun N-terminal kinase inhibitor;
EC 2.3.1.85 (fatty acid synthase) inhibitor;
immunomodulator;
nephroprotective agent;
plant metabolite;
radical scavenger;
vascular endothelial growth factor receptor antagonist		2007200717.0low000100
daphnetin
2
hydroxycoumarin2007200916.0low000200
genistein
1
7-hydroxyisoflavonesantineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
human urinary metabolite;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor		2007200717.0low000100
pulmicort
2
11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
cyclic acetal;
glucocorticoid;
primary alpha-hydroxy ketone		anti-inflammatory drug;
bronchodilator agent;
drug allergen		2007200916.0low000200
timolol maleate
2
maleate saltanti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist		2007200916.0medium000200
brompheniramine maleate
2
maleate saltanti-allergic agent2007200916.0low000200
chlorpheniramine maleate
2
organic molecular entity2007200916.0low000200
clemastine fumarate
2
fumarate saltanti-allergic agent;
antipruritic drug;
H1-receptor antagonist;
muscarinic antagonist		2007200916.0medium000200
methylergonovine maleate
2
ergoline alkaloidgeroprotector2007200916.0high000200
astaxanthine
2
carotenol;
carotenone		animal metabolite;
anticoagulant;
antioxidant;
food colouring;
plant metabolite		2007200916.0low000200
harman
2
harmala alkaloid;
indole alkaloid fundamental parent;
indole alkaloid		anti-HIV agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
plant metabolite		2007200916.0low000200
morin
1
7-hydroxyflavonol;
pentahydroxyflavone		angiogenesis modulating agent;
anti-inflammatory agent;
antibacterial agent;
antihypertensive agent;
antineoplastic agent;
antioxidant;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
hepatoprotective agent;
metabolite;
neuroprotective agent		2007200717.0low000100
myricetin
2
7-hydroxyflavonol;
hexahydroxyflavone		antineoplastic agent;
antioxidant;
cyclooxygenase 1 inhibitor;
food component;
geroprotector;
hypoglycemic agent;
plant metabolite		2007200916.0low000200
daidzein
1
7-hydroxyisoflavonesantineoplastic agent;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
phytoestrogen;
plant metabolite		2007200717.0low000100
caffeic acid phenethyl ester
2
alkyl caffeate esteranti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
antioxidant;
antiviral agent;
immunomodulator;
metabolite;
neuroprotective agent		2007200916.0low000200
rottlerin
2
aromatic ketone;
benzenetriol;
chromenol;
enone;
methyl ketone		anti-allergic agent;
antihypertensive agent;
antineoplastic agent;
apoptosis inducer;
K-ATP channel agonist;
metabolite		2007200916.0low000200
flupenthixol
1
flupenthixoldopaminergic antagonist2007200717.0low000100
n-oleoyldopamine
2
catechols;
fatty amide;
N-(fatty acyl)-dopamine;
secondary carboxamide		TRPV1 agonist2007200916.0low000200
pheniramine maleate
2
organic molecular entity2007200916.0medium000200
tranilast
2
amidobenzoic acid;
cinnamamides;
dimethoxybenzene;
secondary carboxamide		anti-allergic agent;
anti-asthmatic drug;
antineoplastic agent;
aryl hydrocarbon receptor agonist;
calcium channel blocker;
hepatoprotective agent;
nephroprotective agent		2007200916.0low000200
trimipramine maleate
2
maleate saltantidepressant2007200916.0low000200
isotretinoin
2
retinoic acidantineoplastic agent;
keratolytic drug;
teratogenic agent		2007200916.0low000200
xylometazoline hydrochloride
2
2007200916.0low000200
flunarizine hydrochloride
2
diarylmethane2007200916.0medium000200
ketotifen fumarate
2
organoammonium saltanti-asthmatic drug;
H1-receptor antagonist		2007200916.0low000200
cis-flupenthixol dihydrochloride
2
hydrochloridegeroprotector2007200916.0high000200
n-arachidonylglycine
2
fatty amide;
N-acylglycine		2007200916.0low000200
n-oleoylethanolamine
2
endocannabinoid;
N-(long-chain-acyl)ethanolamine;
N-acylethanolamine 18:1		EC 3.5.1.23 (ceramidase) inhibitor;
geroprotector;
PPARalpha agonist		2007200916.0low000200
cyclosporine
2
homodetic cyclic peptideanti-asthmatic drug;
anticoronaviral agent;
antifungal agent;
antirheumatic drug;
carcinogenic agent;
dermatologic drug;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
geroprotector;
immunosuppressive agent;
metabolite		2007200916.0low000200
phenoxybenzamine hydrochloride
2
organic molecular entity2007200916.0medium000200
phenylephrine hydrochloride
1
hydrochloride2007200717.0low000100
mepyramine maleate
2
2007200916.0medium000200
brefeldin a
2
macrolide antibioticPenicillium metabolite2007200916.0low000200
fenretinide
2
monocarboxylic acid amide;
retinoid		antineoplastic agent;
antioxidant		2007200916.0low000200
su 9516
1
2009200915.0low000100
4-(2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)benzoic acid
2
benzoic acids;
naphthalenes;
retinoid		antineoplastic agent;
retinoic acid receptor agonist;
teratogenic agent		2007200916.0low000200
l-2-(carboxypropyl)glycine
1
2007200717.0low000100
4-aminocrotonic acid
1
2007200717.0low000100
denopamine
1
dimethoxybenzene2007200717.0low000100
l 655,708
2
2007200916.0low000200
ml 10302
1
2009200915.0low000100
ro 41-1049
1
2007200717.0low000100
sb 200646a
2
2007200916.0high000200
seglitide
1
2007200717.0low000100
sib 1893
1
2007200717.0low000100
su 6656
2
2007200916.0low000200
ag 538
1
2009200915.0low000100
tyrphostin ag 555
2
2007200916.0low000200
tyrphostin ag-494
1
2007200717.0low000100
tyrphostin b44
2
2007200916.0medium000200
ag-490
2
catechols;
enamide;
monocarboxylic acid amide;
nitrile;
secondary carboxamide		anti-inflammatory agent;
antioxidant;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
geroprotector;
STAT3 inhibitor		2007200916.0low000200
ag 112
2
2007200916.0medium000200
ag 183
2
2007200916.0low000200
semaxinib
2
olefinic compound;
oxindoles;
pyrroles		angiogenesis modulating agent;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
vascular endothelial growth factor receptor antagonist		2007200916.0low000200
8-(3-chlorostyryl)caffeine
2
monochlorobenzenes;
trimethylxanthine		adenosine A2A receptor antagonist;
EC 1.4.3.4 (monoamine oxidase) inhibitor		2007200916.0low000200
bay 11-7085
2
benzenes;
nitrile;
sulfone		anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
apoptosis inducer;
autophagy inducer;
EC 2.7.11.10 (IkappaB kinase) inhibitor;
ferroptosis inducer;
NF-kappaB inhibitor		2007200916.0low000200
bw b70c
1
aromatic ether;
hydroxamic acid;
organofluorine compound;
ureas		EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor2009200915.0low000100
molsidomine
1
ethyl ester;
morpholines;
oxadiazole;
zwitterion		antioxidant;
apoptosis inhibitor;
cardioprotective agent;
nitric oxide donor;
vasodilator agent		2007200717.0low000100
diamide
1
1,1'-azobis(N,N-dimethylformamide)2007200717.0low000100
nomifensine maleate
2
2007200916.0low000200
nalbuphine hydrochloride
2
hydrochloride2007200916.0medium000200
isoalloxazine
1
benzo[g]pteridine-2,4-dione2007200717.0low000100
vinblastine sulfate
2
2007200916.0low000200
n-methylscopolamine bromide
1
2007200717.0low000100
dextromethorphan hydrobromide
2
hydrate;
hydrobromide		2007200916.0medium000200
naloxone hydrochloride
1
hydrochlorideantidote to opioid poisoning;
central nervous system depressant;
mu-opioid receptor antagonist		2007200717.0low000100
s-trans,trans-farnesylthiosalicylic acid
2
sesquiterpenoid2007200916.0low000200
sulindac sulfone
1
monocarboxylic acid;
organofluorine compound;
sulfone		apoptosis inducer;
cyclooxygenase 2 inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor		2007200717.0low000100
naltrexone hydrochloride
2
hydrochlorideantidote to opioid poisoning;
central nervous system depressant;
mu-opioid receptor antagonist		2007200916.0medium000200
guanabenz acetate
2
dichlorobenzenegeroprotector2007200916.0medium000200
nylidrin hydrochloride
2
alkylbenzene2007200916.0medium000200
triprolidine hydrochloride anhydrous
2
hydrochlorideH1-receptor antagonist2007200916.0medium000200
famotidine
1
1,3-thiazoles;
guanidines;
sulfonamide		anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor		2007200717.0low000100
fenoterol
1
hydrobromidebeta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent		2007200717.0low000100
tiapridex
1
benzamides2007200717.0low000100
quipazine maleate
2
2007200916.0medium000200
n-(2-aminoethyl)-4-chlorobenzamide hydrochloride
1
2007200717.0low000100
tulobuterol hydrochloride
2
organic molecular entity2007200916.0medium000200
hp 029
2
2007200916.0medium000200
n,n,n-trimethyl-1-(4-stilbenoxy)-2-propylammonium iodide
1
2007200717.0medium000100
6-(bromomethylene)tetrahydro-3-(1-naphthaleneyl)-2h-pyran-2-one
2
naphthalenes2007200916.0low000200
nf023
1
2007200717.0medium000100
nf 449
2
2007200916.0high000200
7-chloro-4-hydroxy-2-phenyl-1,8-naphthyridine
2
2007200916.0medium000200
gr 46611
1
2007200717.0low000100
diacetylmonoxime
1
2007200717.0low000100
homatropine hydrobromide, (endo-(+-)-isomer)
2
2007200916.0medium000200
vancomycin hydrochloride
1
2007200717.0low000100
moxisylyte hydrochloride
1
monoterpenoid2007200717.0low000100
dizocilpine maleate
2
maleate salt;
tetracyclic antidepressant		anaesthetic;
anticonvulsant;
neuroprotective agent;
nicotinic antagonist;
NMDA receptor antagonist		2007200916.0low000200
beta-aminopropionitrile fumarate
1
2007200717.0low000100
mg 624
1
2009200915.0low000100
flupirtine
2
2007200916.0medium000200
zimelidine hydrochloride
2
2007200916.0high000200
pregna-4,17-diene-3,16-dione, (17z)-isomer
2
2007200916.0medium000200
su 4312
2
2007200916.0low000200
gw 1929
2
benzophenones2007200916.0low000200
protriptyline hydrochloride
2
hydrochlorideantidepressant2007200916.0medium000200
n(4)-chloroacetylcytosine arabinoside
1
2007200717.0low000100
n-(3-(cyclohexylidene-(1h-imidazol-4-ylmethyl))phenyl)ethanesulfonamide
2
2007200916.0medium000200
n-(4-amino-2-chlorophenyl)phthalimide
1
2007200717.0low000100
cb 34
1
2007200717.0low000100
b 43
2
aromatic amine;
aromatic ether;
cyclopentanes;
primary amino compound;
pyrrolopyrimidine		EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
geroprotector		2007200916.0low000200
(8R)-7-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,13,14-triol
1
aporphine alkaloid2007200717.0low000100
(8R)-7-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,13,14-triol
1
aporphine alkaloid2007200717.0low000100
3-(6-chloro-3-pyridazinyl)-3,8-diazabicyclo(3.2.1)octane
1
2007200717.0medium000100
2-(3,3-diphenylpropylamino)acetamide
2
diarylmethane2007200916.0medium000200
4-(2-(phenylsulfonylamino)ethylthio)-2,6-difluorophenoxyacetamide
1
2007200717.0low000100
gw2974
1
pyridopyrimidine2007200717.0low000100
l 162313
2
2007200916.0low000200
l-165041
1
aromatic ketone2007200717.0low000100
mrs 1754
1
oxopurine2007200717.0low000100
s-nitroso-n-acetylpenicillamine
1
nitroso compound;
nitrosothio compound		nitric oxide donor;
vasodilator agent		2007200717.0low000100
pd 404182
1
2007200717.0medium000100
5-(4-phenylbutoxy)psoralen
1
aromatic ether;
benzenes;
psoralens		geroprotector;
immunosuppressive agent;
potassium channel blocker		2009200915.0low000100
sb 222200
2
quinolines2007200916.0low000200
dantrolene sodium
2
2007200916.0low000200
cr 2945
2
2007200916.0medium000200
sb 218795
2
quinolines2007200916.0low000200
dihydroceramide
1
N-acylsphinganine2007200717.0medium000100
epinephrine bitartrate
2
2007200916.0medium000200
bicuculline methobromide
2
2007200916.0low000200
butylscopolammonium bromide
1
2007200717.0low000100
butaclamol hydrochloride
2
2007200916.0medium000200
a 38503
2
2007200916.0medium000200
bisoprolol, fumarate (1:1) salt
1
2009200915.0medium000100
8-hydroxy-2-(di-n-propylamino)tetralin hydrobromide
1
2007200717.0low000100
sk&f 89976-a
1
2007200717.0low000100
cv 1808
2
purine nucleoside2007200916.0low000200
8-(n,n-diethylamino)octyl-3,4,5-trimethoxybenzoate hydrochloride
1
2009200915.0medium000100
fluvoxamine maleate
2
(trifluoromethyl)benzenes2007200916.0medium000200
naloxone benzoylhydrazone
2
2007200916.0medium000200
2-methyl-6-(phenylethynyl)pyridine hydrochloride
2
hydrochlorideanxiolytic drug;
metabotropic glutamate receptor antagonist		2007200916.0medium000200
amiprilose
1
2007200717.0medium000100
(R)-fluoxetine hydrochloride
2
hydrochlorideantidepressant;
serotonin uptake inhibitor		2007200916.0high000200
ro 8-4304
1
2009200915.0low000100
desmethylselegiline hydrochloride
1
2007200717.0medium000100
3-morpholino-sydnonimine monohydrochloride
2
2007200916.0medium000200
t 1032
2
2007200916.0medium000200
qx-314 bromide
1
2007200717.0medium000100
(S)-fluoxetine hydrochloride
2
hydrochlorideantidepressant;
serotonin uptake inhibitor		2007200916.0high000200
sr 59230a
2
2007200916.0low000200
u 74389g
2
2007200916.0high000200
1-(2-methoxyphenyl)piperazine hydrochloride
2
2007200916.0medium000200
y 27632, dihydrochloride, (4(r)-trans)-isomer
1
2007200717.0medium000100
sb 203186
1
2009200915.0medium000100
noscapine hydrochloride
2
2007200916.0high000200
a 77636
2
hydrochlorideantiparkinson drug;
dopamine agonist		2007200916.0high000200
cgp 20712a
2
2007200916.0low000200
levodopa methyl ester hydrochloride
2
2007200916.0medium000200
benalfocin hydrochloride
1
2007200717.0medium000100
lu 19005
2
2007200916.0high000200
benoxathian hydrochloride
2
2007200916.0high000200
((2-n-butyl-6,7-dichloro-2-cyclopentyl-2,3-dihydro-1-oxo-1h-inden-5-yl)oxy)acetic acid, (+)-isomer
2
2007200916.0medium000200
n-cyclopropyl adenosine-5'-carboxamide
1
2007200717.0low000100
cefotaxime sodium
1
organic sodium salt2007200717.0low000100
calpain inhibitor iii
2
2007200916.0low000200
GR 127935 hydrochloride
2
hydrochlorideserotonergic antagonist2007200916.0high000200
1-aminocyclopropane-1-carboxylic acid hydrochloride
2
2007200916.0high000200
alaproclate hydrochloride
2
2007200916.0high000200
ubenimex
2
peptide2007200916.0medium000200
3-chloroalanine hydrochloride, (l-ala)-isomer
1
2007200717.0medium000100
dsp 4 hydrochloride
2
2007200916.0high000200
calcimycin
2
benzoxazole2007200916.0low000200
(2-(2',6'-dimethoxy)phenoxyethylamino)methylbenzodioxan hydrochloride
2
hydrochloridealpha-adrenergic antagonist2007200916.0medium000200
2-cyclooctyl-2-hydroxyethylamine hydrochloride
2
2007200916.0high000200
cirazoline monohydrochloride
2
2007200916.0high000200
adtn
2
2007200916.0high000200
apocodeine hydrochloride, (r)-isomer
2
2007200916.0high000200
2-hydroxyapomorphine, (r)-isomer
1
2009200915.0medium000100
Dihydro-beta-erythroidine hydrobromide
1
indoles2007200717.0medium000100
lilly 78335
2
2007200916.0high000200
efaroxan hydrochloride
2
2007200916.0medium000200
fenoldopam hydrobromide
2
2007200916.0medium000200
1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazine dihydrochloride
2
hydrochloridedopamine uptake inhibitor2007200916.0high000200
guvacine hydrochloride
1
2007200717.0medium000100
7-hydroxy-2-n,n-dipropylaminotetralin hydrobromide
2
2007200916.0medium000200
8-hydroxy-2-(di-n-propylamino)tetralin hydrobromide, (r)-isomer,
2
organic molecular entity2007200916.0medium000200
1-(2-(4-(4-fluoro-benzoyl)-piperidin-1-yl)-ethyl)-3,3-dimethyl-1,2-dihydro-indol-2-one
2
hydrochloridereceptor modulator;
serotonergic antagonist		2007200916.0medium000200
4-iodoclonidine
2
2007200916.0high000200
4-methylpyrazole monohydrochloride
1
2007200717.0low000100
tele-methylhistamine
1
2007200717.0medium000100
alpha-methyltyrosine methyl ester, monohydrochloride
2
2007200916.0high000200
octoclothepine maleate
2
2007200916.0medium000200
2-(n-phenethyl-n-propyl)amino-5-hydroxytetralin hydrochloride
2
2007200916.0medium000200
du 24565
2
2007200916.0high000200
2-methoxyidazoxan hydrochloride
2
2007200916.0high000200
N-methyl-6-chloro-1-(3-methylphenyl)-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide
1
hydrobromidedopamine agonist;
prodrug		2009200915.0medium000100
ro 25-6981
2
2007200916.0high000200
sk&f 77434
2
hydrobromidedopamine agonist;
prodrug		2007200916.0medium000200
3-[(6aR,9R,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-yl]-1,1-diethylurea
2
organic heterotetracyclic compound;
organonitrogen heterocyclic compound		2007200916.0high000200
demethylcantharidin
2
2007200916.0low000200
atropine sulfate
2
2007200916.0medium000200
1-deoxynojirimycin hydrochloride
1
2007200717.0medium000100
win 62577
2
2007200916.0high000200
quinine sulfate
2
hydrate2007200916.0medium000200
quercetin
2
2007200916.0medium000200
rv 538, (r-(r*,r*))-isomer
2
2007200916.0high000200
3,4-dichloro-n-methyl-n-(2-(1-pyrrolidinyl)cyclohexyl)-benzeneacetamide, (1s-cis)-isomer
2
2007200916.0high000200
valproate sodium
1
organic sodium saltgeroprotector2007200717.0low000100
u 63557a
1
2007200717.0low000100
taurocholic acid, monosodium salt
2
bile salt2007200916.0high000200
cefmetazole sodium
1
organic sodium saltantimicrobial agent2007200717.0low000100
fusidate sodium
2
2007200916.0high000200
cephapirin sodium
1
cephalosporin;
organic sodium salt		antibacterial drug2007200717.0low000100
sodium cephalothin
1
organic sodium salt2007200717.0low000100
cefazolin sodium
2
organic sodium salt2007200916.0medium000200
5-hydroxydecanoic acid, monosodium salt
1
2007200717.0medium000100
ro13-9904
1
2007200717.0low000100
phenytoin sodium
1
2007200717.0low000100
cr 1409
1
2007200717.0low000100
cortisol succinate, sodium salt
2
organic molecular entity2007200916.0low000200
piroxicam
2
benzothiazine;
monocarboxylic acid amide;
pyridines		analgesic;
antirheumatic drug;
cyclooxygenase 1 inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug		2007200916.0low000200
lfm a13
1
aromatic amide;
dibromobenzene;
enamide;
enol;
nitrile;
secondary carboxamide		antineoplastic agent;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
EC 2.7.11.21 (polo kinase) inhibitor;
geroprotector;
platelet aggregation inhibitor		2007200717.0low000100
l 701324
1
quinolines2007200717.0low000100
hispidin
2
2-pyranones;
catechols		antioxidant;
EC 2.7.11.13 (protein kinase C) inhibitor;
fungal metabolite		2007200916.0low000200
minocycline hydrochloride
2
2007200916.0medium000200
demeclocycline hydrochloride
2
2007200916.0low000200
acyclovir
1
2-aminopurines;
oxopurine		antimetabolite;
antiviral drug		2007200717.0low000100
sepiapterin
1
sepiapterin2007200717.0low000100
isoxanthopterin
1
dihydroxypteridine2007200717.0low000100
clozapine
2
benzodiazepine;
N-arylpiperazine;
N-methylpiperazine;
organochlorine compound		adrenergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
GABA antagonist;
histamine antagonist;
muscarinic antagonist;
second generation antipsychotic;
serotonergic antagonist;
xenobiotic		2007200916.0low000200
ganciclovir
1
2-aminopurines;
oxopurine		antiinfective agent;
antiviral drug		2007200717.0low000100
zaprinast
2
triazolopyrimidines2007200916.0low000200
allopurinol
1
nucleobase analogue;
organic heterobicyclic compound		antimetabolite;
EC 1.17.3.2 (xanthine oxidase) inhibitor;
gout suppressant;
radical scavenger		2007200717.0low000100
thiolactomycin
1
2007200717.0low000100
2,4-diaminohypoxanthine
1
hydroxypyrimidine2007200717.0low000100
quazinone
1
2007200717.0low000100
8-bromocyclic gmp, sodium salt
2
organic sodium saltmuscle relaxant;
protein kinase G agonist		2007200916.0high000200
ag-879
2
2007200916.0low000200
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
bisindolylmaleimide i
1
201620168.0low000010
nitrendipine
5
C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
ethyl ester;
methyl ester		antihypertensive agent;
calcium channel blocker;
geroprotector;
vasodilator agent		2005201615.0low000410
oxazoles
1
1,3-oxazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene		201620168.0low000010
thiazoles
2
1,3-thiazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene		2008201015.0low000200
acetylcysteine
1
acetylcysteine;
L-cysteine derivative;
N-acetyl-L-amino acid		antidote to paracetamol poisoning;
antiinfective agent;
antioxidant;
antiviral drug;
ferroptosis inhibitor;
geroprotector;
human metabolite;
mucolytic;
radical scavenger;
vulnerary		201620168.0low000010
gadolinium
1
f-block element atom;
lanthanoid atom		2010201014.0low000100
u 73122
1
aromatic ether;
aza-steroid;
maleimides		EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor201620168.0low000010
1-hexadecyl-2-acetyl-glycero-3-phosphocholine
1
2-acetyl-1-alkyl-sn-glycero-3-phosphocholineantihypertensive agent;
beta-adrenergic antagonist;
bronchoconstrictor agent;
hematologic agent;
vasodilator agent		2006200618.0low000100
inositol 1,4,5-trisphosphate
1
myo-inositol trisphosphatemouse metabolite2006200618.0low000100
thapsigargin
1
butyrate ester;
organic heterotricyclic compound;
sesquiterpene lactone		calcium channel blocker;
EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor		2010201014.0low000100
sphingosine
1
sphing-4-eninehuman metabolite;
mouse metabolite		2010201014.0low000100
n,n-dimethylsphingenine
1
aminodiol;
sphingoid;
tertiary amino compound		EC 2.7.1.91 (sphingosine kinase) inhibitor;
metabolite		2010201014.0low000100
muromonab-cd3
1
alkaloid;
macrocycle;
organic heteropentacyclic compound;
organonitrogen heterocyclic compound;
oxacycle;
tertiary amino compound		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
IP3 receptor antagonist;
marine metabolite		201620168.0low000010
sphingosine kinase
2
2008201015.0low000200
ConditionIndicatedStudiesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
Acute Respiratory Distress Syndrome0
1
2005200519.0low000100
Anemia, Fanconi0
1
201620168.0low000010
Benign Neoplasms0
1
2007200717.0low000100
Contact Dermatitis0
1
201920195.0low000010
Dermatitis, Contact0
1
201920195.0low000010
Disease Models, Animal0
3
2005201913.3medium000210
Experimental Lung Inflammation0
1
2008200816.0low000100
Fanconi Anemia0
1
201620168.0low000010
Hemorrhagic Shock0
2
2005200817.5low000200
Inflammation0
1
2010201014.0low000100
Innate Inflammatory Response0
1
2010201014.0low000100
Itching0
1
201920195.0low000010
Neoplasms0
1
2007200717.0low000100
Pneumonia0
1
2008200816.0low000100
Pruritus0
1
201920195.0low000010
Respiratory Distress Syndrome0
1
2005200519.0low000100
Sensitivity and Specificity0
1
2007200717.0low000100
Shock, Traumatic0
2
2005200817.5low000200